(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid

C24H46O3 — CID 139584861

IUPAC(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid
SMILESCCC(C)CCCCCCCCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C24H46O3/c1-4-21(2)17-13-10-8-6-5-7-9-11-14-18-22(3)23(25)19-15-12-16-20-24(26)27/h14,18,21-23,25H,4-13,15-17,19-20H2,1-3H3,(H,26,27)/b18-14-
InChIKeyRRXKRBLUYJGINV-JXAWBTAJSA-N
MW382.63 g/mol
LogP7.13
Rot. Bonds19

About (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid

(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid (PubChem CID 139584861) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid.

Molecular Properties

Compound Name(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid
PubChem CID139584861
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid
SMILESCCC(C)CCCCCCCCC/C=C\C(C)C(O)CCCCCC(=O)O
InChIInChI=1S/C24H46O3/c1-4-21(2)17-13-10-8-6-5-7-9-11-14-18-22(3)23(25)19-15-12-16-20-24(26)27/h14,18,21-23,25H,4-13,15-17,19-20H2,1-3H3,(H,26,27)/b18-14-
InChIKeyRRXKRBLUYJGINV-JXAWBTAJSA-N
XLogP7.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.13
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-8,20-dimethyldocos-9-enoic acid?
The IUPAC name of (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid (CID 139584861) is (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid.
What is the SMILES notation for (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid?
The canonical SMILES for (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid is CCC(C)CCCCCCCCC/C=C\C(C)C(O)CCCCCC(=O)O.
What is the InChIKey of (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid?
The InChIKey is RRXKRBLUYJGINV-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H46O3/c1-4-21(2)17-13-10-8-6-5-7-9-11-14-18-22(3)23(25)19-15-12-16-20-24(26)27/h14,18,21-23,25H,4-13,15-17,19-20H2,1-3H3,(H,26,27)/b18-14-.
What are the key properties of (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid?
(Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid has a molecular weight of 382.63 g/mol, XLogP of 7.13, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-8,20-dimethyldocos-9-enoic acid is sourced from PubChem (CID 139584861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).