1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol

C12H22O3 — CID 131874311

IUPAC1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol
SMILESC=C(CCC(OC)OC)C1(O)CCCC1
InChIInChI=1S/C12H22O3/c1-10(6-7-11(14-2)15-3)12(13)8-4-5-9-12/h11,13H,1,4-9H2,2-3H3
InChIKeyBOBOMDOSPAZBLI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds6

About 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol

1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol (PubChem CID 131874311) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol
PubChem CID131874311
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol
SMILESC=C(CCC(OC)OC)C1(O)CCCC1
InChIInChI=1S/C12H22O3/c1-10(6-7-11(14-2)15-3)12(13)8-4-5-9-12/h11,13H,1,4-9H2,2-3H3
InChIKeyBOBOMDOSPAZBLI-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 102365736
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CID 11057339
1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
CID 163740661
1,1-dimethoxy-7-methylidenenonane
CID 11252644
1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
[1-(3,3-dimethoxypropyl)-2-methylidenecyclohexyl]oxy-trimethylsilane
CID 10859111
1-(1-ethylcyclopentyl)-N,4-dimethylpent-4-en-1-amine
CID 105039581
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964213
(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol
CID 25129059
2-(1-hydroxycyclohexyl)-2-methoxyacetic acid
CID 142625258

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol (CID 131874311) is 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol is C=C(CCC(OC)OC)C1(O)CCCC1.
What is the InChIKey of 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol?
The InChIKey is BOBOMDOSPAZBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(6-7-11(14-2)15-3)12(13)8-4-5-9-12/h11,13H,1,4-9H2,2-3H3.
What are the key properties of 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol?
1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 131874311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).