dec-9-en-3-yl nonanoate

C19H36O2 — CID 173316270

IUPACdec-9-en-3-yl nonanoate
SMILESC=CCCCCCC(CC)OC(=O)CCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-11-13-15-17-19(20)21-18(6-3)16-14-12-10-8-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKeyBQJABNGWRWGZNT-UHFFFAOYSA-N
MW296.49 g/mol
LogP6.20
Rot. Bonds15

About dec-9-en-3-yl nonanoate

dec-9-en-3-yl nonanoate (PubChem CID 173316270) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is dec-9-en-3-yl nonanoate.

Molecular Properties

Compound Namedec-9-en-3-yl nonanoate
PubChem CID173316270
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Namedec-9-en-3-yl nonanoate
SMILESC=CCCCCCC(CC)OC(=O)CCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-11-13-15-17-19(20)21-18(6-3)16-14-12-10-8-5-2/h5,18H,2,4,6-17H2,1,3H3
InChIKeyBQJABNGWRWGZNT-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

octan-3-yl octanoate
CID 22035452
tetradecan-3-yl heptanoate
CID 146681550
octan-3-yl tetracosanoate
CID 87222171
undecan-3-yl nonanoate
CID 140749833
dodecan-3-yl pentadecanoate
CID 54131907
octan-3-yl 18-oxooctadecanoate
CID 54280507
18-[(Z)-hexadec-9-enoyl]oxyicosanoic acid
CID 134765926
20-[(Z)-tetracos-15-enoyl]oxydocosanoic acid
CID 134739895
diheptan-3-yl nonanedioate
CID 91752130
7-oxo-7-undecan-3-yloxyheptanoic acid
CID 164591298
[(3S)-octan-3-yl] 16-methylheptadecanoate
CID 124579030
6-nonan-3-yloxy-6-oxohexanoic acid
CID 88691174

Frequently Asked Questions

What is the IUPAC name of dec-9-en-3-yl nonanoate?
The IUPAC name of dec-9-en-3-yl nonanoate (CID 173316270) is dec-9-en-3-yl nonanoate.
What is the SMILES notation for dec-9-en-3-yl nonanoate?
The canonical SMILES for dec-9-en-3-yl nonanoate is C=CCCCCCC(CC)OC(=O)CCCCCCCC.
What is the InChIKey of dec-9-en-3-yl nonanoate?
The InChIKey is BQJABNGWRWGZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-7-9-11-13-15-17-19(20)21-18(6-3)16-14-12-10-8-5-2/h5,18H,2,4,6-17H2,1,3H3.
What are the key properties of dec-9-en-3-yl nonanoate?
dec-9-en-3-yl nonanoate has a molecular weight of 296.49 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-en-3-yl nonanoate is sourced from PubChem (CID 173316270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).