2,2-dimethylcyclohexane-1,1-diol

C8H16O2 — CID 19096530

IUPAC2,2-dimethylcyclohexane-1,1-diol
SMILESCC1(C)CCCCC1(O)O
InChIInChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(7,9)10/h9-10H,3-6H2,1-2H3
InChIKeyONQPGJOLZNATOG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.27
Rot. Bonds

About 2,2-dimethylcyclohexane-1,1-diol

2,2-dimethylcyclohexane-1,1-diol (PubChem CID 19096530) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,2-dimethylcyclohexane-1,1-diol.

Molecular Properties

Compound Name2,2-dimethylcyclohexane-1,1-diol
PubChem CID19096530
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,2-dimethylcyclohexane-1,1-diol
SMILESCC1(C)CCCCC1(O)O
InChIInChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(7,9)10/h9-10H,3-6H2,1-2H3
InChIKeyONQPGJOLZNATOG-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcyclohexane-1,1-diol?
The IUPAC name of 2,2-dimethylcyclohexane-1,1-diol (CID 19096530) is 2,2-dimethylcyclohexane-1,1-diol.
What is the SMILES notation for 2,2-dimethylcyclohexane-1,1-diol?
The canonical SMILES for 2,2-dimethylcyclohexane-1,1-diol is CC1(C)CCCCC1(O)O.
What is the InChIKey of 2,2-dimethylcyclohexane-1,1-diol?
The InChIKey is ONQPGJOLZNATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(7,9)10/h9-10H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethylcyclohexane-1,1-diol?
2,2-dimethylcyclohexane-1,1-diol has a molecular weight of 144.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclohexane-1,1-diol is sourced from PubChem (CID 19096530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).