4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol

C15H28O — CID 68811577

IUPAC4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
SMILESCCC(C)CC(O)CC1CC=C(C)C1(C)C
InChIInChI=1S/C15H28O/c1-6-11(2)9-14(16)10-13-8-7-12(3)15(13,4)5/h7,11,13-14,16H,6,8-10H2,1-5H3
InChIKeyWKHUAZHOVBBJOG-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.17
Rot. Bonds5

About 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol

4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol (PubChem CID 68811577) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
PubChem CID68811577
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
SMILESCCC(C)CC(O)CC1CC=C(C)C1(C)C
InChIInChI=1S/C15H28O/c1-6-11(2)9-14(16)10-13-8-7-12(3)15(13,4)5/h7,11,13-14,16H,6,8-10H2,1-5H3
InChIKeyWKHUAZHOVBBJOG-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-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 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol?
The IUPAC name of 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol (CID 68811577) is 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol.
What is the SMILES notation for 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol?
The canonical SMILES for 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol is CCC(C)CC(O)CC1CC=C(C)C1(C)C.
What is the InChIKey of 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol?
The InChIKey is WKHUAZHOVBBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-6-11(2)9-14(16)10-13-8-7-12(3)15(13,4)5/h7,11,13-14,16H,6,8-10H2,1-5H3.
What are the key properties of 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol?
4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol is sourced from PubChem (CID 68811577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).