[(E)-nonadec-10-en-9-yl] acetate

C21H40O2 — CID 134872860

IUPAC[(E)-nonadec-10-en-9-yl] acetate
SMILESCCCCCCCC/C=C/C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C21H40O2/c1-4-6-8-10-12-13-15-17-19-21(23-20(3)22)18-16-14-11-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3/b19-17+
InChIKeyXVZNATIRYUWTCD-HTXNQAPBSA-N
MW324.55 g/mol
LogP6.98
Rot. Bonds16

About [(E)-nonadec-10-en-9-yl] acetate

[(E)-nonadec-10-en-9-yl] acetate (PubChem CID 134872860) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is [(E)-nonadec-10-en-9-yl] acetate.

Molecular Properties

Compound Name[(E)-nonadec-10-en-9-yl] acetate
PubChem CID134872860
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name[(E)-nonadec-10-en-9-yl] acetate
SMILESCCCCCCCC/C=C/C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C21H40O2/c1-4-6-8-10-12-13-15-17-19-21(23-20(3)22)18-16-14-11-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3/b19-17+
InChIKeyXVZNATIRYUWTCD-HTXNQAPBSA-N
XLogP6.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.98
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

11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
11-Hexadecenyl acetate, (11Z)-
CID 5364711
Gossyplure
CID 5363265
5-hexylfuran-2(5H)-one
CID 102833
1-Nonen-3-ol, 3-acetate
CID 169364
Oleyl acetate
CID 5363289
(+-)-Massoia lactone
CID 39914

Frequently Asked Questions

What is the IUPAC name of [(E)-nonadec-10-en-9-yl] acetate?
The IUPAC name of [(E)-nonadec-10-en-9-yl] acetate (CID 134872860) is [(E)-nonadec-10-en-9-yl] acetate.
What is the SMILES notation for [(E)-nonadec-10-en-9-yl] acetate?
The canonical SMILES for [(E)-nonadec-10-en-9-yl] acetate is CCCCCCCC/C=C/C(CCCCCCCC)OC(C)=O.
What is the InChIKey of [(E)-nonadec-10-en-9-yl] acetate?
The InChIKey is XVZNATIRYUWTCD-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H40O2/c1-4-6-8-10-12-13-15-17-19-21(23-20(3)22)18-16-14-11-9-7-5-2/h17,19,21H,4-16,18H2,1-3H3/b19-17+.
What are the key properties of [(E)-nonadec-10-en-9-yl] acetate?
[(E)-nonadec-10-en-9-yl] acetate has a molecular weight of 324.55 g/mol, XLogP of 6.98, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-nonadec-10-en-9-yl] acetate is sourced from PubChem (CID 134872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).