6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol

C15H22O2 — CID 91752244

IUPAC6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol
SMILESCC1(C)C=C2C=C(CO)C3(CC3)C(C)(O)C2C1
InChIInChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyYEDYYAKSTVQMBN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.42
Rot. Bonds1

About 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol

6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol (PubChem CID 91752244) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol
PubChem CID91752244
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol
SMILESCC1(C)C=C2C=C(CO)C3(CC3)C(C)(O)C2C1
InChIInChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3
InChIKeyYEDYYAKSTVQMBN-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

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol?
The IUPAC name of 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol (CID 91752244) is 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol?
The canonical SMILES for 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol is CC1(C)C=C2C=C(CO)C3(CC3)C(C)(O)C2C1.
What is the InChIKey of 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol?
The InChIKey is YEDYYAKSTVQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)7-10-6-11(9-16)15(4-5-15)14(3,17)12(10)8-13/h6-7,12,16-17H,4-5,8-9H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol?
6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-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 6-(hydroxymethyl)-2,2,4-trimethylspiro[3,3a-dihydroindene-5,1'-cyclopropane]-4-ol is sourced from PubChem (CID 91752244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).