3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride

C10H22Cl2O — CID 141116426

IUPAC3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
SMILESCC1(C)CC(O)CC(C)(C)C1.Cl.Cl
InChIInChI=1S/C10H20O.2ClH/c1-9(2)5-8(11)6-10(3,4)7-9;;/h8,11H,5-7H2,1-4H3;2*1H
InChIKeyNANWLIKUXCTQCC-UHFFFAOYSA-N
MW229.19 g/mol
LogP3.43
Rot. Bonds

About 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride

3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride (PubChem CID 141116426) has the molecular formula C10H22Cl2O and a molecular weight of 229.19 g/mol. Its IUPAC name is 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
PubChem CID141116426
Molecular FormulaC10H22Cl2O
Molecular Weight229.19 g/mol
Exact Mass228.10
IUPAC Name3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
SMILESCC1(C)CC(O)CC(C)(C)C1.Cl.Cl
InChIInChI=1S/C10H20O.2ClH/c1-9(2)5-8(11)6-10(3,4)7-9;;/h8,11H,5-7H2,1-4H3;2*1H
InChIKeyNANWLIKUXCTQCC-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride?
The IUPAC name of 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride (CID 141116426) is 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride.
What is the SMILES notation for 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride?
The canonical SMILES for 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride is CC1(C)CC(O)CC(C)(C)C1.Cl.Cl.
What is the InChIKey of 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride?
The InChIKey is NANWLIKUXCTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.2ClH/c1-9(2)5-8(11)6-10(3,4)7-9;;/h8,11H,5-7H2,1-4H3;2*1H.
What are the key properties of 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride?
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride has a molecular weight of 229.19 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride is sourced from PubChem (CID 141116426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).