(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol

C15H20O — CID 10242437

IUPAC(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC/C(=C\c2ccccc2)C1O
InChIInChI=1S/C15H20O/c1-15(2)10-6-9-13(14(15)16)11-12-7-4-3-5-8-12/h3-5,7-8,11,14,16H,6,9-10H2,1-2H3/b13-11+
InChIKeyQHUVFBYRKOUMBW-ACCUITESSA-N
MW216.32 g/mol
LogP3.64
Rot. Bonds1

About (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol

(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol (PubChem CID 10242437) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
PubChem CID10242437
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC/C(=C\c2ccccc2)C1O
InChIInChI=1S/C15H20O/c1-15(2)10-6-9-13(14(15)16)11-12-7-4-3-5-8-12/h3-5,7-8,11,14,16H,6,9-10H2,1-2H3/b13-11+
InChIKeyQHUVFBYRKOUMBW-ACCUITESSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol (CID 10242437) is (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol is CC1(C)CCC/C(=C\c2ccccc2)C1O.
What is the InChIKey of (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol?
The InChIKey is QHUVFBYRKOUMBW-ACCUITESSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2)10-6-9-13(14(15)16)11-12-7-4-3-5-8-12/h3-5,7-8,11,14,16H,6,9-10H2,1-2H3/b13-11+.
What are the key properties of (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol?
(6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-benzylidene-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 10242437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).