1-cyclopentyl-6-methoxyhexan-3-one

C12H22O2 — CID 115815614

IUPAC1-cyclopentyl-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCC1CCCC1
InChIInChI=1S/C12H22O2/c1-14-10-4-7-12(13)9-8-11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeyQEUWEHQGFFUWFG-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds7

About 1-cyclopentyl-6-methoxyhexan-3-one

1-cyclopentyl-6-methoxyhexan-3-one (PubChem CID 115815614) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-cyclopentyl-6-methoxyhexan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-6-methoxyhexan-3-one
PubChem CID115815614
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-cyclopentyl-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCC1CCCC1
InChIInChI=1S/C12H22O2/c1-14-10-4-7-12(13)9-8-11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeyQEUWEHQGFFUWFG-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 114969105
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1-cyclohexyl-6-methylsulfonylhexan-3-one
CID 114965014
1-bromo-5-methoxypentan-2-one
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2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
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1-cyclopentylhenicosan-4-one
CID 521722
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
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1-methoxynonan-4-one
CID 65091900
1-methoxyoct-7-yn-4-one
CID 65092248
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CID 65092607

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methoxyhexan-3-one?
The IUPAC name of 1-cyclopentyl-6-methoxyhexan-3-one (CID 115815614) is 1-cyclopentyl-6-methoxyhexan-3-one.
What is the SMILES notation for 1-cyclopentyl-6-methoxyhexan-3-one?
The canonical SMILES for 1-cyclopentyl-6-methoxyhexan-3-one is COCCCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-methoxyhexan-3-one?
The InChIKey is QEUWEHQGFFUWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-14-10-4-7-12(13)9-8-11-5-2-3-6-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-6-methoxyhexan-3-one?
1-cyclopentyl-6-methoxyhexan-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methoxyhexan-3-one is sourced from PubChem (CID 115815614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).