acetic acid;(Z)-octadec-2-en-1-ol

C20H40O3 — CID 175144339

IUPACacetic acid;(Z)-octadec-2-en-1-ol
SMILESCC(=O)O.CCCCCCCCCCCCCCC/C=C\CO
InChIInChI=1S/C18H36O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h16-17,19H,2-15,18H2,1H3;1H3,(H,3,4)/b17-16-;
InChIKeyDBBFNMVUBWXGRX-XYJRJTJESA-N
MW328.54 g/mol
LogP6.11
Rot. Bonds15

About acetic acid;(Z)-octadec-2-en-1-ol

acetic acid;(Z)-octadec-2-en-1-ol (PubChem CID 175144339) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is acetic acid;(Z)-octadec-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;(Z)-octadec-2-en-1-ol
PubChem CID175144339
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Nameacetic acid;(Z)-octadec-2-en-1-ol
SMILESCC(=O)O.CCCCCCCCCCCCCCC/C=C\CO
InChIInChI=1S/C18H36O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h16-17,19H,2-15,18H2,1H3;1H3,(H,3,4)/b17-16-;
InChIKeyDBBFNMVUBWXGRX-XYJRJTJESA-N
XLogP6.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.11
H-Bond Donors ≤ 52
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

(Z)-but-2-enedioic acid;dec-2-en-1-ol
CID 174232749
acetic acid;(E)-tetradec-7-ene
CID 174697247
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
(E)-nonadec-2-en-1-ol
CID 10869774
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788
acetic acid;(Z)-dec-3-ene
CID 174912778
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
octadeca-2,13-dien-1-ol
CID 543270

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-octadec-2-en-1-ol?
The IUPAC name of acetic acid;(Z)-octadec-2-en-1-ol (CID 175144339) is acetic acid;(Z)-octadec-2-en-1-ol.
What is the SMILES notation for acetic acid;(Z)-octadec-2-en-1-ol?
The canonical SMILES for acetic acid;(Z)-octadec-2-en-1-ol is CC(=O)O.CCCCCCCCCCCCCCC/C=C\CO.
What is the InChIKey of acetic acid;(Z)-octadec-2-en-1-ol?
The InChIKey is DBBFNMVUBWXGRX-XYJRJTJESA-N. The full InChI is InChI=1S/C18H36O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h16-17,19H,2-15,18H2,1H3;1H3,(H,3,4)/b17-16-;.
What are the key properties of acetic acid;(Z)-octadec-2-en-1-ol?
acetic acid;(Z)-octadec-2-en-1-ol has a molecular weight of 328.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-octadec-2-en-1-ol is sourced from PubChem (CID 175144339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).