1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol

C12H22O — CID 10261763

IUPAC1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol
SMILESC=C(C)CC(C)(C)C1(O)CCCC1
InChIInChI=1S/C12H22O/c1-10(2)9-11(3,4)12(13)7-5-6-8-12/h13H,1,5-9H2,2-4H3
InChIKeyGUPUSCIFVLUXJY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol

1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol (PubChem CID 10261763) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol
PubChem CID10261763
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol
SMILESC=C(C)CC(C)(C)C1(O)CCCC1
InChIInChI=1S/C12H22O/c1-10(2)9-11(3,4)12(13)7-5-6-8-12/h13H,1,5-9H2,2-4H3
InChIKeyGUPUSCIFVLUXJY-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-tert-butylcyclooctan-1-ol
CID 12697683
1-tert-butyl-1-prop-1-en-2-ylcyclopentane
CID 143093863
propane;2,4,4-trimethylpent-1-ene
CID 145388380
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
4-(1-amino-2-methylpropan-2-yl)-1-propylazepan-4-ol
CID 79124628
2-(1-hydroxycyclododecyl)-2-methylpropanoic acid
CID 12574141
3,5-dimethylhex-5-en-3-ol
CID 552026
3,3,5-trimethylhex-5-en-2-one
CID 22159646
1-[tris(methylsulfanyl)methyl]cyclopentan-1-ol
CID 10933735
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
CID 163740661

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol (CID 10261763) is 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol is C=C(C)CC(C)(C)C1(O)CCCC1.
What is the InChIKey of 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol?
The InChIKey is GUPUSCIFVLUXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)9-11(3,4)12(13)7-5-6-8-12/h13H,1,5-9H2,2-4H3.
What are the key properties of 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol?
1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-4-en-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 10261763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).