(Z)-hexadec-9-enoic acid;hydrochloride

C16H31ClO2 — CID 88612066

IUPAC(Z)-hexadec-9-enoic acid;hydrochloride
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.Cl
InChIInChI=1S/C16H30O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);1H/b8-7-;
InChIKeyFSNTVURKXZCOGP-CFYXSCKTSA-N
MW290.87 g/mol
LogP5.75
Rot. Bonds13

About (Z)-hexadec-9-enoic acid;hydrochloride

(Z)-hexadec-9-enoic acid;hydrochloride (PubChem CID 88612066) has the molecular formula C16H31ClO2 and a molecular weight of 290.87 g/mol. Its IUPAC name is (Z)-hexadec-9-enoic acid;hydrochloride.

Molecular Properties

Compound Name(Z)-hexadec-9-enoic acid;hydrochloride
PubChem CID88612066
Molecular FormulaC16H31ClO2
Molecular Weight290.87 g/mol
Exact Mass290.20
IUPAC Name(Z)-hexadec-9-enoic acid;hydrochloride
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.Cl
InChIInChI=1S/C16H30O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);1H/b8-7-;
InChIKeyFSNTVURKXZCOGP-CFYXSCKTSA-N
XLogP5.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.87
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-enoic acid;hydrochloride?
The IUPAC name of (Z)-hexadec-9-enoic acid;hydrochloride (CID 88612066) is (Z)-hexadec-9-enoic acid;hydrochloride.
What is the SMILES notation for (Z)-hexadec-9-enoic acid;hydrochloride?
The canonical SMILES for (Z)-hexadec-9-enoic acid;hydrochloride is CCCCCC/C=C\CCCCCCCC(=O)O.Cl.
What is the InChIKey of (Z)-hexadec-9-enoic acid;hydrochloride?
The InChIKey is FSNTVURKXZCOGP-CFYXSCKTSA-N. The full InChI is InChI=1S/C16H30O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);1H/b8-7-;.
What are the key properties of (Z)-hexadec-9-enoic acid;hydrochloride?
(Z)-hexadec-9-enoic acid;hydrochloride has a molecular weight of 290.87 g/mol, XLogP of 5.75, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-enoic acid;hydrochloride is sourced from PubChem (CID 88612066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).