3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol

C16H22O — CID 146217543

IUPAC3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol
SMILESCc1cc(O)cc2c1CCC21CCCC(C)C1
InChIInChI=1S/C16H22O/c1-11-4-3-6-16(10-11)7-5-14-12(2)8-13(17)9-15(14)16/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyDAQPECOVBGFGGU-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.09
Rot. Bonds

About 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol

3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol (PubChem CID 146217543) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol.

Molecular Properties

Compound Name3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol
PubChem CID146217543
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol
SMILESCc1cc(O)cc2c1CCC21CCCC(C)C1
InChIInChI=1S/C16H22O/c1-11-4-3-6-16(10-11)7-5-14-12(2)8-13(17)9-15(14)16/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyDAQPECOVBGFGGU-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol?
The IUPAC name of 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol (CID 146217543) is 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol.
What is the SMILES notation for 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol?
The canonical SMILES for 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol is Cc1cc(O)cc2c1CCC21CCCC(C)C1.
What is the InChIKey of 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol?
The InChIKey is DAQPECOVBGFGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-4-3-6-16(10-11)7-5-14-12(2)8-13(17)9-15(14)16/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol?
3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol has a molecular weight of 230.35 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-5-ol is sourced from PubChem (CID 146217543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).