Decanal


PubChem CID 8175
Molecular Formula C10H20O
Structure Compound Image
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

Computed Descriptors


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

Computed Properties

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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

2 pairs of Verified P450 and Decanal


Insect Gene Symbol Validation Reference
Dendroctonus ponderosae CYP4G55 X
Dendroctonus ponderosae CYP4G56 X