1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol

C12H22O — CID 107192586

IUPAC1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCCC1(C)C
InChIInChI=1S/C12H22O/c1-9(2)8-11(13)10-6-5-7-12(10,3)4/h10-11,13H,1,5-8H2,2-4H3
InChIKeySYZIYLGZUCIBPA-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol

1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol (PubChem CID 107192586) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
PubChem CID107192586
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCCC1(C)C
InChIInChI=1S/C12H22O/c1-9(2)8-11(13)10-6-5-7-12(10,3)4/h10-11,13H,1,5-8H2,2-4H3
InChIKeySYZIYLGZUCIBPA-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 107189744
2-cyclohexyl-1-(2,2-dimethylcyclopentyl)ethanol
CID 107192138
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
CID 107192806
1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123815942
(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
CID 143524779
cyclobutyl-(2,2-dimethylcyclopentyl)methanol
CID 107192993
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
1-(2,2-dimethylcyclohexyl)-3-methylidenepentan-1-amine
CID 107189793
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol (CID 107192586) is 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol?
The InChIKey is SYZIYLGZUCIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)8-11(13)10-6-5-7-12(10,3)4/h10-11,13H,1,5-8H2,2-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol?
1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 107192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).