PubChem CID | 8175 |
Molecular Formula | C10H20O |
Structure |
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Synonyms |
Decanal
Decyl aldehyde 112-31-2 Caprinaldehyde Capraldehyde Decanaldehyde n-Decyl aldehyde Capric aldehyde 1-Decanal DECALDEHYDE n-Decanal n-Decaldehyde 1-Decyl aldehyde Aldehyde C10 Decylic aldehyde Caprinic aldehyde C-10 aldehyde Decanal (natural) FEMA No. 2362 Aldehyde C-10 NSC 6087 HSDB 288 EINECS 203-957-4 UNII-31Z90Q7KQJ BRN 1362530 31Z90Q7KQJ DTXSID4021553 CHEBI:31457 AI3-04860 NSC-6087 DTXCID801553 NSC6087 EC 203-957-4 MFCD00007031 112-81-2 DECANAL [FHFI] DECANAL [FCC] DECALDEHYDE [HSDB] SCHEMBL2540 WLN: VH9 Decanal, analytical standard N-decanal (capric aldehyde) decanal (ACD/Name 4.0) CHEMBL2228377 KSMVZQYAVGTKIV-UHFFFAOYSA- Decanal, natural, >=97%, FG Decanal, >=95%, FCC, FG Decanal, >=98% (GC), liquid Tox21_302656 LMFA06000052 s5376 AKOS000120018 CCG-266266 CS-W013286 HY-W012570 NCGC00256769-01 CAS-112-31-2 LS-13888 DB-041074 D0032 NS00003646 EN300-20146 F85622 A802551 Q903525 J-002749 Z104477054 InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
IUPAC Name | decanal |
SMILES | CCCCCCCCCC=O |
Canonical SMILES | CCCCCCCCCC=O |
InChI | InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
InChIKey | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
Molecular Weight | 156.26 g/mol |
XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 8 |
Exact Mass | 156.151 |
Monoisotopic Mass | 156.151 |
Topological Polar Surface Area | 17.1 |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 78.9 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Dendroctonus ponderosae | CYP4G55 | X | |
Dendroctonus ponderosae | CYP4G56 | X |