4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol

C17H28O — CID 88972387

IUPAC4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol
SMILESC=C1CCC2CC(C3(C)CCC(O)CC3)CCC12
InChIInChI=1S/C17H28O/c1-12-3-4-13-11-14(5-6-16(12)13)17(2)9-7-15(18)8-10-17/h13-16,18H,1,3-11H2,2H3
InChIKeyNRLIROUTNSQEBL-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.31
Rot. Bonds1

About 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol

4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol (PubChem CID 88972387) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol
PubChem CID88972387
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol
SMILESC=C1CCC2CC(C3(C)CCC(O)CC3)CCC12
InChIInChI=1S/C17H28O/c1-12-3-4-13-11-14(5-6-16(12)13)17(2)9-7-15(18)8-10-17/h13-16,18H,1,3-11H2,2H3
InChIKeyNRLIROUTNSQEBL-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-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 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol (CID 88972387) is 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol is C=C1CCC2CC(C3(C)CCC(O)CC3)CCC12.
What is the InChIKey of 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol?
The InChIKey is NRLIROUTNSQEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-12-3-4-13-11-14(5-6-16(12)13)17(2)9-7-15(18)8-10-17/h13-16,18H,1,3-11H2,2H3.
What are the key properties of 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol?
4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 88972387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).