3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol

C12H24O2 — CID 123875963

IUPAC3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
SMILESCCC(C)C1CC(C)(C)CC(O)C1O
InChIInChI=1S/C12H24O2/c1-5-8(2)9-6-12(3,4)7-10(13)11(9)14/h8-11,13-14H,5-7H2,1-4H3
InChIKeyRAZFQDQZOIUXML-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds2

About 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol

3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol (PubChem CID 123875963) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol.

Molecular Properties

Compound Name3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
PubChem CID123875963
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
SMILESCCC(C)C1CC(C)(C)CC(O)C1O
InChIInChI=1S/C12H24O2/c1-5-8(2)9-6-12(3,4)7-10(13)11(9)14/h8-11,13-14H,5-7H2,1-4H3
InChIKeyRAZFQDQZOIUXML-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
2-butan-2-ylcycloheptan-1-ol
CID 23148884
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
4-butan-2-yloxolan-3-ol
CID 147418216
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802
2-butan-2-yl-5-cyclopentylcyclopentan-1-ol
CID 22937274
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol?
The IUPAC name of 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol (CID 123875963) is 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol.
What is the SMILES notation for 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol?
The canonical SMILES for 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol is CCC(C)C1CC(C)(C)CC(O)C1O.
What is the InChIKey of 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol?
The InChIKey is RAZFQDQZOIUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-8(2)9-6-12(3,4)7-10(13)11(9)14/h8-11,13-14H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol?
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol is sourced from PubChem (CID 123875963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).