2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol

C11H22O2 — CID 79449950

IUPAC2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)CC1CCCC1
InChIInChI=1S/C11H22O2/c1-2-11(8-12,9-13)7-10-5-3-4-6-10/h10,12-13H,2-9H2,1H3
InChIKeyKCIMUGJCXWBRFX-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.95
Rot. Bonds5

About 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol

2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol (PubChem CID 79449950) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
PubChem CID79449950
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)CC1CCCC1
InChIInChI=1S/C11H22O2/c1-2-11(8-12,9-13)7-10-5-3-4-6-10/h10,12-13H,2-9H2,1H3
InChIKeyKCIMUGJCXWBRFX-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopentylmethyl)-2-ethylpropane-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-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-ethyl-2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450037
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
2,2-bis(methoxymethyl)butylcyclobutane
CID 141250149
1-cyclopentyl-2-cyclopropylbutan-2-ol
CID 65153921
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
2,2-bis(chloromethyl)pentylcyclopentane
CID 79447124
cyclopentane;2,2-dimethylbutylcyclopentane;propane
CID 162289353
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
2-(cyclohexylmethyl)-2-ethyl-N-methylhexan-1-amine
CID 55194903
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol (CID 79449950) is 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol is CCC(CO)(CO)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol?
The InChIKey is KCIMUGJCXWBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-11(8-12,9-13)7-10-5-3-4-6-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol?
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol has a molecular weight of 186.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 79449950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).