2-(cyclopentylmethyl)-2-ethylbutan-1-ol

C12H24O — CID 66058711

IUPAC2-(cyclopentylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CCCC1
InChIInChI=1S/C12H24O/c1-3-12(4-2,10-13)9-11-7-5-6-8-11/h11,13H,3-10H2,1-2H3
InChIKeyMJCJQHMZILSDFV-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.37
Rot. Bonds5

About 2-(cyclopentylmethyl)-2-ethylbutan-1-ol

2-(cyclopentylmethyl)-2-ethylbutan-1-ol (PubChem CID 66058711) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-ethylbutan-1-ol
PubChem CID66058711
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-(cyclopentylmethyl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CC1CCCC1
InChIInChI=1S/C12H24O/c1-3-12(4-2,10-13)9-11-7-5-6-8-11/h11,13H,3-10H2,1-2H3
InChIKeyMJCJQHMZILSDFV-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950
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-cyclobutyl-2-(cyclopropylmethyl)butan-2-yl]cyclopentane
CID 54340340
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(cyclopentylmethyl)-2-ethylbutan-1-ol (CID 66058711) is 2-(cyclopentylmethyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(cyclopentylmethyl)-2-ethylbutan-1-ol is CCC(CC)(CO)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-2-ethylbutan-1-ol?
The InChIKey is MJCJQHMZILSDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-12(4-2,10-13)9-11-7-5-6-8-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-2-ethylbutan-1-ol?
2-(cyclopentylmethyl)-2-ethylbutan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 66058711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).