2,2-dimethylcyclohexan-1-ol

C8H16O — CID 557637

IUPAC2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1O
InChIInChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3
InChIKeyBYBYZPFVXFPCND-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds

About 2,2-dimethylcyclohexan-1-ol

2,2-dimethylcyclohexan-1-ol (PubChem CID 557637) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethylcyclohexan-1-ol
PubChem CID557637
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1O
InChIInChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3
InChIKeyBYBYZPFVXFPCND-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 2,2-dimethylcyclohexan-1-ol (CID 557637) is 2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1O.
What is the InChIKey of 2,2-dimethylcyclohexan-1-ol?
The InChIKey is BYBYZPFVXFPCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexan-1-ol?
2,2-dimethylcyclohexan-1-ol has a molecular weight of 128.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 557637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).