1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol

C12H24O2 — CID 142654820

IUPAC1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
SMILESCC1CCCC(C)(C(C)(O)O)C1(C)C
InChIInChI=1S/C12H24O2/c1-9-7-6-8-11(4,10(9,2)3)12(5,13)14/h9,13-14H,6-8H2,1-5H3
InChIKeyXJQFFVYJVNKNTP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.54
Rot. Bonds1

About 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol

1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol (PubChem CID 142654820) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
PubChem CID142654820
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
SMILESCC1CCCC(C)(C(C)(O)O)C1(C)C
InChIInChI=1S/C12H24O2/c1-9-7-6-8-11(4,10(9,2)3)12(5,13)14/h9,13-14H,6-8H2,1-5H3
InChIKeyXJQFFVYJVNKNTP-UHFFFAOYSA-N
XLogP2.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol with MolForge

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

Launch Full Analysis

Related Compounds

1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,2,2,3-tetramethylcyclohexane-1-carboxylic acid
CID 150924560
1,2,2,3-tetramethylcyclohexane-1-carbonyl chloride
CID 156649181
2,2,3-trimethyl-1,1-bis(2-methylheptan-2-ylperoxy)cyclohexane
CID 101294802
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
CID 172711110
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
1-(1,2-dimethylcyclopentyl)-4-methylcyclohexane
CID 142806834
1,2-dimethylcyclopentan-1-amine;hydrochloride
CID 146050243
methanol;1,1,2-trimethylcyclohexane
CID 70292509

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol?
The IUPAC name of 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol (CID 142654820) is 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol.
What is the SMILES notation for 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol?
The canonical SMILES for 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol is CC1CCCC(C)(C(C)(O)O)C1(C)C.
What is the InChIKey of 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol?
The InChIKey is XJQFFVYJVNKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9-7-6-8-11(4,10(9,2)3)12(5,13)14/h9,13-14H,6-8H2,1-5H3.
What are the key properties of 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol?
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol has a molecular weight of 200.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol is sourced from PubChem (CID 142654820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).