1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol

C13H26O2 — CID 103448588

IUPAC1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
SMILESCCC1CCCCC1C(O)C(C)(O)CC
InChIInChI=1S/C13H26O2/c1-4-10-8-6-7-9-11(10)12(14)13(3,15)5-2/h10-12,14-15H,4-9H2,1-3H3
InChIKeyZKCKRZNWMOYCAK-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol

1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol (PubChem CID 103448588) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
PubChem CID103448588
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
SMILESCCC1CCCCC1C(O)C(C)(O)CC
InChIInChI=1S/C13H26O2/c1-4-10-8-6-7-9-11(10)12(14)13(3,15)5-2/h10-12,14-15H,4-9H2,1-3H3
InChIKeyZKCKRZNWMOYCAK-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045058
cyclopropyl-(2-ethylcyclohexyl)methanol
CID 63861825
(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329639
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
6-bicyclo[3.1.0]hexanyl-(2-ethylcyclohexyl)methanol
CID 115801700
2-(2-ethylcyclopentyl)propan-2-ol
CID 143832066
1-cyclopropyl-1-(2-ethylcyclohexyl)ethanol
CID 63863435
ethane;1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329638
1-(2-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063279
1-ethyl-2-[2-(2-ethylcyclohexyl)propan-2-yl]cyclohexane
CID 154060366

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol (CID 103448588) is 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol is CCC1CCCCC1C(O)C(C)(O)CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol?
The InChIKey is ZKCKRZNWMOYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-10-8-6-7-9-11(10)12(14)13(3,15)5-2/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol?
1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol has a molecular weight of 214.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol is sourced from PubChem (CID 103448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).