6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol

C11H18O — CID 130128432

IUPAC6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
SMILESCC1(C)CCC2=C(CC(O)C2)C1
InChIInChI=1S/C11H18O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h10,12H,3-7H2,1-2H3
InChIKeyFQKSXSXPOGXNLC-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol

6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol (PubChem CID 130128432) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol.

Molecular Properties

Compound Name6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
PubChem CID130128432
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
SMILESCC1(C)CCC2=C(CC(O)C2)C1
InChIInChI=1S/C11H18O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h10,12H,3-7H2,1-2H3
InChIKeyFQKSXSXPOGXNLC-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol?
The IUPAC name of 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol (CID 130128432) is 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol.
What is the SMILES notation for 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol?
The canonical SMILES for 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol is CC1(C)CCC2=C(CC(O)C2)C1.
What is the InChIKey of 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol?
The InChIKey is FQKSXSXPOGXNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2)4-3-8-5-10(12)6-9(8)7-11/h10,12H,3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol?
6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol is sourced from PubChem (CID 130128432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).