2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol

C12H22O — CID 130903094

IUPAC2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
SMILESC=C1[C@H](C(C)C)CC[C@@]1(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/t11-,12-/m0/s1
InChIKeyICOQGCPELUOUEK-RYUDHWBXSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds3

About 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol

2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol (PubChem CID 130903094) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
PubChem CID130903094
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
SMILESC=C1[C@H](C(C)C)CC[C@@]1(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/t11-,12-/m0/s1
InChIKeyICOQGCPELUOUEK-RYUDHWBXSA-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

3,7-Dimethyl-7-octen-1-ol
CID 543323
Rhodinol
CID 81263
Grandisol
CID 169202
Sandalore
CID 103212
Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-
CID 114559
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
(-)-Chokol A
CID 181328
3-(1-(3-Hydroxypropyl)vinyl)-1,2-dimethylcyclopentanol
CID 500065
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R-cis)-
CID 6432285
Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R,2S)-rel-
CID 117314
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-
CID 16063533

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol?
The IUPAC name of 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol (CID 130903094) is 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol.
What is the SMILES notation for 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol?
The canonical SMILES for 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol is C=C1[C@H](C(C)C)CC[C@@]1(C)CCO.
What is the InChIKey of 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol?
The InChIKey is ICOQGCPELUOUEK-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol?
2-[(1S,3S)-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-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol is sourced from PubChem (CID 130903094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).