1-(2-methylcyclopentyl)hexan-1-one

C12H22O — CID 107186773

IUPAC1-(2-methylcyclopentyl)hexan-1-one
SMILESCCCCCC(=O)C1CCCC1C
InChIInChI=1S/C12H22O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-11H,3-9H2,1-2H3
InChIKeyJZZIWPFOFKIVKJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-methylcyclopentyl)hexan-1-one

1-(2-methylcyclopentyl)hexan-1-one (PubChem CID 107186773) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)hexan-1-one.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)hexan-1-one
PubChem CID107186773
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(2-methylcyclopentyl)hexan-1-one
SMILESCCCCCC(=O)C1CCCC1C
InChIInChI=1S/C12H22O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-11H,3-9H2,1-2H3
InChIKeyJZZIWPFOFKIVKJ-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424
1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
CID 107187091
1-cyclobutyldodecan-1-one
CID 115811550
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
CID 155467999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)hexan-1-one?
The IUPAC name of 1-(2-methylcyclopentyl)hexan-1-one (CID 107186773) is 1-(2-methylcyclopentyl)hexan-1-one.
What is the SMILES notation for 1-(2-methylcyclopentyl)hexan-1-one?
The canonical SMILES for 1-(2-methylcyclopentyl)hexan-1-one is CCCCCC(=O)C1CCCC1C.
What is the InChIKey of 1-(2-methylcyclopentyl)hexan-1-one?
The InChIKey is JZZIWPFOFKIVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-4-5-9-12(13)11-8-6-7-10(11)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylcyclopentyl)hexan-1-one?
1-(2-methylcyclopentyl)hexan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)hexan-1-one is sourced from PubChem (CID 107186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).