[(4Z)-trideca-4,7-dien-5-yl] acetate

C15H26O2 — CID 87164857

IUPAC[(4Z)-trideca-4,7-dien-5-yl] acetate
SMILESCCC/C=C(/CC=CCCCCC)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-6-8-9-10-11-13-15(12-7-5-2)17-14(3)16/h10-12H,4-9,13H2,1-3H3/b11-10?,15-12-
InChIKeyNDJMAXGEUTZEIX-ORARWSRFSA-N
MW238.37 g/mol
LogP4.76
Rot. Bonds9

About [(4Z)-trideca-4,7-dien-5-yl] acetate

[(4Z)-trideca-4,7-dien-5-yl] acetate (PubChem CID 87164857) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(4Z)-trideca-4,7-dien-5-yl] acetate.

Molecular Properties

Compound Name[(4Z)-trideca-4,7-dien-5-yl] acetate
PubChem CID87164857
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(4Z)-trideca-4,7-dien-5-yl] acetate
SMILESCCC/C=C(/CC=CCCCCC)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-6-8-9-10-11-13-15(12-7-5-2)17-14(3)16/h10-12H,4-9,13H2,1-3H3/b11-10?,15-12-
InChIKeyNDJMAXGEUTZEIX-ORARWSRFSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetyl dec-3-enoate
CID 174638238
(E)-dec-4-en-2-one
CID 12955998
acetyl (Z)-octadec-9-enoate
CID 11174744
(Z)-undec-4-en-2-one
CID 177193877
2-butylidenetridec-4-enamide
CID 175316783
acetic acid;acetyl (Z)-octadec-9-enoate
CID 175114309
acetic acid;(E)-tetradec-7-ene
CID 174697247
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
non-3-enoyl chloride
CID 71403525
nonadec-3-enamide
CID 54215031
(E)-2,2-dimethyltetradec-5-en-3-one
CID 59409783
octadec-8-enyl acetate
CID 538134

Frequently Asked Questions

What is the IUPAC name of [(4Z)-trideca-4,7-dien-5-yl] acetate?
The IUPAC name of [(4Z)-trideca-4,7-dien-5-yl] acetate (CID 87164857) is [(4Z)-trideca-4,7-dien-5-yl] acetate.
What is the SMILES notation for [(4Z)-trideca-4,7-dien-5-yl] acetate?
The canonical SMILES for [(4Z)-trideca-4,7-dien-5-yl] acetate is CCC/C=C(/CC=CCCCCC)OC(C)=O.
What is the InChIKey of [(4Z)-trideca-4,7-dien-5-yl] acetate?
The InChIKey is NDJMAXGEUTZEIX-ORARWSRFSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-6-8-9-10-11-13-15(12-7-5-2)17-14(3)16/h10-12H,4-9,13H2,1-3H3/b11-10?,15-12-.
What are the key properties of [(4Z)-trideca-4,7-dien-5-yl] acetate?
[(4Z)-trideca-4,7-dien-5-yl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-trideca-4,7-dien-5-yl] acetate is sourced from PubChem (CID 87164857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).