2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol

C28H46O4 — CID 142927913

IUPAC2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol
SMILESCC(C)(CO)CCCCC1=CC=C(/C=C\C2=CCC(CCCCC(C)(C)CO)C2O)C1O
InChIInChI=1S/C28H46O4/c1-27(2,19-29)17-7-5-9-21-11-13-23(25(21)31)15-16-24-14-12-22(26(24)32)10-6-8-18-28(3,4)20-30/h11,13-16,22,25-26,29-32H,5-10,12,17-20H2,1-4H3/b16-15-
InChIKeyFZVFBRISLCFWGM-NXVVXOECSA-N
MW446.67 g/mol
LogP5.23
Rot. Bonds14

About 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol

2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol (PubChem CID 142927913) has the molecular formula C28H46O4 and a molecular weight of 446.67 g/mol. Its IUPAC name is 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol
PubChem CID142927913
Molecular FormulaC28H46O4
Molecular Weight446.67 g/mol
Exact Mass446.34
IUPAC Name2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol
SMILESCC(C)(CO)CCCCC1=CC=C(/C=C\C2=CCC(CCCCC(C)(C)CO)C2O)C1O
InChIInChI=1S/C28H46O4/c1-27(2,19-29)17-7-5-9-21-11-13-23(25(21)31)15-16-24-14-12-22(26(24)32)10-6-8-18-28(3,4)20-30/h11,13-16,22,25-26,29-32H,5-10,12,17-20H2,1-4H3/b16-15-
InChIKeyFZVFBRISLCFWGM-NXVVXOECSA-N
XLogP5.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.67
LogP ≤ 55.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol?
The IUPAC name of 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol (CID 142927913) is 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol?
The canonical SMILES for 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol is CC(C)(CO)CCCCC1=CC=C(/C=C\C2=CCC(CCCCC(C)(C)CO)C2O)C1O.
What is the InChIKey of 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol?
The InChIKey is FZVFBRISLCFWGM-NXVVXOECSA-N. The full InChI is InChI=1S/C28H46O4/c1-27(2,19-29)17-7-5-9-21-11-13-23(25(21)31)15-16-24-14-12-22(26(24)32)10-6-8-18-28(3,4)20-30/h11,13-16,22,25-26,29-32H,5-10,12,17-20H2,1-4H3/b16-15-.
What are the key properties of 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol?
2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol has a molecular weight of 446.67 g/mol, XLogP of 5.23, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-5,5-dimethylhexyl)-5-[(Z)-2-[5-hydroxy-4-(6-hydroxy-5,5-dimethylhexyl)cyclopenten-1-yl]ethenyl]cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 142927913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).