(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid

C18H34O3 — CID 139583649

IUPAC(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid
SMILESCCC(C)CCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-4-15(2)11-7-5-8-12-16(3)17(19)13-9-6-10-14-18(20)21/h8,12,15-17,19H,4-7,9-11,13-14H2,1-3H3,(H,20,21)/b12-8-
InChIKeyJDRSUMSNQYUZNP-WQLSENKSSA-N
MW298.47 g/mol
LogP4.79
Rot. Bonds13

About (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid

(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid (PubChem CID 139583649) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid
PubChem CID139583649
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid
SMILESCCC(C)CCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-4-15(2)11-7-5-8-12-16(3)17(19)13-9-6-10-14-18(20)21/h8,12,15-17,19H,4-7,9-11,13-14H2,1-3H3,(H,20,21)/b12-8-
InChIKeyJDRSUMSNQYUZNP-WQLSENKSSA-N
XLogP4.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid?
The IUPAC name of (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid (CID 139583649) is (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid is CCC(C)CCC/C=C\C(C)C(O)CCCCCC(=O)O.
What is the InChIKey of (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid?
The InChIKey is JDRSUMSNQYUZNP-WQLSENKSSA-N. The full InChI is InChI=1S/C18H34O3/c1-4-15(2)11-7-5-8-12-16(3)17(19)13-9-6-10-14-18(20)21/h8,12,15-17,19H,4-7,9-11,13-14H2,1-3H3,(H,20,21)/b12-8-.
What are the key properties of (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid?
(Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 4.79, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-8,14-dimethylhexadec-9-enoic acid is sourced from PubChem (CID 139583649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).