(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid

C20H38O3 — CID 139583932

IUPAC(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid
SMILESCCC(C)CCCCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-4-17(2)13-9-6-5-7-10-14-18(3)19(21)15-11-8-12-16-20(22)23/h10,14,17-19,21H,4-9,11-13,15-16H2,1-3H3,(H,22,23)/b14-10-
InChIKeyKUETZEFEIMFMOF-UVTDQMKNSA-N
MW326.52 g/mol
LogP5.57
Rot. Bonds15

About (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid

(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid (PubChem CID 139583932) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid
PubChem CID139583932
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid
SMILESCCC(C)CCCCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-4-17(2)13-9-6-5-7-10-14-18(3)19(21)15-11-8-12-16-20(22)23/h10,14,17-19,21H,4-9,11-13,15-16H2,1-3H3,(H,22,23)/b14-10-
InChIKeyKUETZEFEIMFMOF-UVTDQMKNSA-N
XLogP5.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.57
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

Ricinoleic Acid
CID 643684
Methyl Ricinoleate
CID 5354133
Potassium Ricinoleate
CID 23716429
Sodium Ricinoleate
CID 23687338
Butyl ricinoleate
CID 5354175
11-Deoxy-PGE1
CID 5283055
Zinc Ricinoleate
CID 6437808
Ethyl Ricinoleate
CID 6437405
Chaulmoogric Acid
CID 441446
Ricinelaidic acid
CID 445641
(9E)-12-hydroxyoctadec-9-enoic acid
CID 5282943
(9Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942

Frequently Asked Questions

What is the IUPAC name of (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid?
The IUPAC name of (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid (CID 139583932) is (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid is CCC(C)CCCCC/C=C\C(C)C(O)CCCCCC(=O)O.
What is the InChIKey of (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid?
The InChIKey is KUETZEFEIMFMOF-UVTDQMKNSA-N. The full InChI is InChI=1S/C20H38O3/c1-4-17(2)13-9-6-5-7-10-14-18(3)19(21)15-11-8-12-16-20(22)23/h10,14,17-19,21H,4-9,11-13,15-16H2,1-3H3,(H,22,23)/b14-10-.
What are the key properties of (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid?
(Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.57, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-8,16-dimethyloctadec-9-enoic acid is sourced from PubChem (CID 139583932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).