2-butyl-2-ethylcyclohexane-1,3-diol

C12H24O2 — CID 175397332

IUPAC2-butyl-2-ethylcyclohexane-1,3-diol
SMILESCCCCC1(CC)C(O)CCCC1O
InChIInChI=1S/C12H24O2/c1-3-5-9-12(4-2)10(13)7-6-8-11(12)14/h10-11,13-14H,3-9H2,1-2H3
InChIKeyCZOLDSBFCNZCNF-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.48
Rot. Bonds4

About 2-butyl-2-ethylcyclohexane-1,3-diol

2-butyl-2-ethylcyclohexane-1,3-diol (PubChem CID 175397332) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-butyl-2-ethylcyclohexane-1,3-diol.

Molecular Properties

Compound Name2-butyl-2-ethylcyclohexane-1,3-diol
PubChem CID175397332
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-butyl-2-ethylcyclohexane-1,3-diol
SMILESCCCCC1(CC)C(O)CCCC1O
InChIInChI=1S/C12H24O2/c1-3-5-9-12(4-2)10(13)7-6-8-11(12)14/h10-11,13-14H,3-9H2,1-2H3
InChIKeyCZOLDSBFCNZCNF-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butyl-2-ethylcyclohexane-1,3-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

2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
2-ethyl-2-propylcyclopentan-1-ol
CID 20501781
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279
4,4-dibutylcyclohexan-1-ol
CID 154113333
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
7,7-diethylbicyclo[3.2.0]heptan-6-ol
CID 81421329
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
sodium;boranuide;3,3-dibutylpiperidin-4-ol
CID 173274900
1-pentylbicyclo[3.1.0]hexan-2-ol
CID 69469372
1-propylcyclodecane-1,2-diol
CID 173377333

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethylcyclohexane-1,3-diol?
The IUPAC name of 2-butyl-2-ethylcyclohexane-1,3-diol (CID 175397332) is 2-butyl-2-ethylcyclohexane-1,3-diol.
What is the SMILES notation for 2-butyl-2-ethylcyclohexane-1,3-diol?
The canonical SMILES for 2-butyl-2-ethylcyclohexane-1,3-diol is CCCCC1(CC)C(O)CCCC1O.
What is the InChIKey of 2-butyl-2-ethylcyclohexane-1,3-diol?
The InChIKey is CZOLDSBFCNZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-9-12(4-2)10(13)7-6-8-11(12)14/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 2-butyl-2-ethylcyclohexane-1,3-diol?
2-butyl-2-ethylcyclohexane-1,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethylcyclohexane-1,3-diol is sourced from PubChem (CID 175397332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).