(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol

C15H22O2 — CID 162849082

IUPAC(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
SMILESC=C1C[C@H]2C(=C(CO)C13CC3)CC(C)(C)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9-6-10-11(7-14(2,3)13(10)17)12(8-16)15(9)4-5-15/h10,13,16-17H,1,4-8H2,2-3H3/t10-,13+/m0/s1
InChIKeyZVWRQSVBGORCLN-GXFFZTMASA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds1

About (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol

(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol (PubChem CID 162849082) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol.

Molecular Properties

Compound Name(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
PubChem CID162849082
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
SMILESC=C1C[C@H]2C(=C(CO)C13CC3)CC(C)(C)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9-6-10-11(7-14(2,3)13(10)17)12(8-16)15(9)4-5-15/h10,13,16-17H,1,4-8H2,2-3H3/t10-,13+/m0/s1
InChIKeyZVWRQSVBGORCLN-GXFFZTMASA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-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 (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The IUPAC name of (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol (CID 162849082) is (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol.
What is the SMILES notation for (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The canonical SMILES for (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol is C=C1C[C@H]2C(=C(CO)C13CC3)CC(C)(C)[C@@H]2O.
What is the InChIKey of (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The InChIKey is ZVWRQSVBGORCLN-GXFFZTMASA-N. The full InChI is InChI=1S/C15H22O2/c1-9-6-10-11(7-14(2,3)13(10)17)12(8-16)15(9)4-5-15/h10,13,16-17H,1,4-8H2,2-3H3/t10-,13+/m0/s1.
What are the key properties of (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
(1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7aS)-4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol is sourced from PubChem (CID 162849082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).