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

C15H22O2 — CID 131752467

IUPAC4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
SMILESC=C1CC2C(=C(CO)C13CC3)CC(C)(C)C2O
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
InChIKeyZVWRQSVBGORCLN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds1

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

4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol (PubChem CID 131752467) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
PubChem CID131752467
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol
SMILESC=C1CC2C(=C(CO)C13CC3)CC(C)(C)C2O
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
InChIKeyZVWRQSVBGORCLN-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The IUPAC name of 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol (CID 131752467) is 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol is C=C1CC2C(=C(CO)C13CC3)CC(C)(C)C2O.
What is the InChIKey of 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
The InChIKey is ZVWRQSVBGORCLN-UHFFFAOYSA-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.
What are the key properties of 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol?
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 4-(hydroxymethyl)-2,2-dimethyl-6-methylidenespiro[1,3,7,7a-tetrahydroindene-5,1'-cyclopropane]-1-ol is sourced from PubChem (CID 131752467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).