propanoic acid;(Z)-tetradec-9-en-1-ol

C17H34O3 — CID 175420248

IUPACpropanoic acid;(Z)-tetradec-9-en-1-ol
SMILESCCC(=O)O.CCCC/C=C\CCCCCCCCO
InChIInChI=1S/C14H28O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3(4)5/h5-6,15H,2-4,7-14H2,1H3;2H2,1H3,(H,4,5)/b6-5-;
InChIKeyDHNWVIKPPFPKLS-YSMBQZINSA-N
MW286.46 g/mol
LogP4.94
Rot. Bonds12

About propanoic acid;(Z)-tetradec-9-en-1-ol

propanoic acid;(Z)-tetradec-9-en-1-ol (PubChem CID 175420248) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is propanoic acid;(Z)-tetradec-9-en-1-ol.

Molecular Properties

Compound Namepropanoic acid;(Z)-tetradec-9-en-1-ol
PubChem CID175420248
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Namepropanoic acid;(Z)-tetradec-9-en-1-ol
SMILESCCC(=O)O.CCCC/C=C\CCCCCCCCO
InChIInChI=1S/C14H28O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3(4)5/h5-6,15H,2-4,7-14H2,1H3;2H2,1H3,(H,4,5)/b6-5-;
InChIKeyDHNWVIKPPFPKLS-YSMBQZINSA-N
XLogP4.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.94
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

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CID 87814318
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
butane-1,4-diol;octadec-9-enoic acid
CID 57346584
(Z)-docos-13-en-1-ol;octadecanoic acid
CID 174497002
(Z)-docos-13-en-1-ol;tetradecanoic acid
CID 175083189
hexadecanoic acid;(Z)-octadec-9-en-1-ol
CID 174574592
docosanoic acid;(Z)-docos-13-en-1-ol
CID 174511877
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918

Frequently Asked Questions

What is the IUPAC name of propanoic acid;(Z)-tetradec-9-en-1-ol?
The IUPAC name of propanoic acid;(Z)-tetradec-9-en-1-ol (CID 175420248) is propanoic acid;(Z)-tetradec-9-en-1-ol.
What is the SMILES notation for propanoic acid;(Z)-tetradec-9-en-1-ol?
The canonical SMILES for propanoic acid;(Z)-tetradec-9-en-1-ol is CCC(=O)O.CCCC/C=C\CCCCCCCCO.
What is the InChIKey of propanoic acid;(Z)-tetradec-9-en-1-ol?
The InChIKey is DHNWVIKPPFPKLS-YSMBQZINSA-N. The full InChI is InChI=1S/C14H28O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3(4)5/h5-6,15H,2-4,7-14H2,1H3;2H2,1H3,(H,4,5)/b6-5-;.
What are the key properties of propanoic acid;(Z)-tetradec-9-en-1-ol?
propanoic acid;(Z)-tetradec-9-en-1-ol has a molecular weight of 286.46 g/mol, XLogP of 4.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;(Z)-tetradec-9-en-1-ol is sourced from PubChem (CID 175420248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).