[(Z,2R)-heptadec-8-en-2-yl] acetate

C19H36O2 — CID 66573257

IUPAC[(Z,2R)-heptadec-8-en-2-yl] acetate
SMILESCCCCCCCC/C=C\CCCCC[C@@H](C)OC(C)=O
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)21-19(3)20/h11-12,18H,4-10,13-17H2,1-3H3/b12-11-/t18-/m1/s1
InChIKeyUFUXVKUYBCXQHY-YUIUBULTSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds14

About [(Z,2R)-heptadec-8-en-2-yl] acetate

[(Z,2R)-heptadec-8-en-2-yl] acetate (PubChem CID 66573257) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is [(Z,2R)-heptadec-8-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R)-heptadec-8-en-2-yl] acetate
PubChem CID66573257
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name[(Z,2R)-heptadec-8-en-2-yl] acetate
SMILESCCCCCCCC/C=C\CCCCC[C@@H](C)OC(C)=O
InChIInChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)21-19(3)20/h11-12,18H,4-10,13-17H2,1-3H3/b12-11-/t18-/m1/s1
InChIKeyUFUXVKUYBCXQHY-YUIUBULTSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
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

[(2R)-tridec-10-en-2-yl] acetate
CID 173369884
pentacosan-2-yl acetate
CID 173416941
13-oxoheptadec-10-en-2-yl acetate
CID 76539180
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate
CID 91749862
icos-11-en-2-yl N-hexadecyl-N-octadecylcarbamate
CID 173332608
decan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
CID 174941829
hexan-2-yl acetate;methane
CID 159910641
23-[(Z)-icos-11-enoyl]oxytetracosanoic acid
CID 134720560

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-heptadec-8-en-2-yl] acetate?
The IUPAC name of [(Z,2R)-heptadec-8-en-2-yl] acetate (CID 66573257) is [(Z,2R)-heptadec-8-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R)-heptadec-8-en-2-yl] acetate?
The canonical SMILES for [(Z,2R)-heptadec-8-en-2-yl] acetate is CCCCCCCC/C=C\CCCCC[C@@H](C)OC(C)=O.
What is the InChIKey of [(Z,2R)-heptadec-8-en-2-yl] acetate?
The InChIKey is UFUXVKUYBCXQHY-YUIUBULTSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)21-19(3)20/h11-12,18H,4-10,13-17H2,1-3H3/b12-11-/t18-/m1/s1.
What are the key properties of [(Z,2R)-heptadec-8-en-2-yl] acetate?
[(Z,2R)-heptadec-8-en-2-yl] acetate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-heptadec-8-en-2-yl] acetate is sourced from PubChem (CID 66573257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).