2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol

C12H22O — CID 14891127

IUPAC2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
SMILESC=C1C(C(C)C)CCC1(C)CCO
InChIInChI=1S/C12H22O/c1-9(2)11-5-6-12(4,7-8-13)10(11)3/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyICOQGCPELUOUEK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds3

About 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol

2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol (PubChem CID 14891127) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
PubChem CID14891127
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
SMILESC=C1C(C(C)C)CCC1(C)CCO
InChIInChI=1S/C12H22O/c1-9(2)11-5-6-12(4,7-8-13)10(11)3/h9,11,13H,3,5-8H2,1-2,4H3
InChIKeyICOQGCPELUOUEK-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 71426371
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
(3-methoxy-1-methyl-2-methylidenecyclopentyl)methanol
CID 130130412
(2S)-2-[(E)-but-2-enyl]-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 45098750
(S)-[(5S)-2-(methoxymethyl)-5-prop-1-en-2-ylcyclopenten-1-yl]-[(1S,3R)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]methanol
CID 11012599
2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol
CID 154925733
[(1R,4R,5R,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]methanol
CID 134715067
3-(2-hydroxyethyl)-3-methylpyrrolidin-2-one
CID 12682994
cis-(2S,5S)-2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 130926086
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol?
The IUPAC name of 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol (CID 14891127) is 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol is C=C1C(C(C)C)CCC1(C)CCO.
What is the InChIKey of 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol?
The InChIKey is ICOQGCPELUOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)11-5-6-12(4,7-8-13)10(11)3/h9,11,13H,3,5-8H2,1-2,4H3.
What are the key properties of 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol?
2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol is sourced from PubChem (CID 14891127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).