1-cyclopentyl-7-methyloctan-1-one

C14H26O — CID 155793674

IUPAC1-cyclopentyl-7-methyloctan-1-one
SMILESCC(C)CCCCCC(=O)C1CCCC1
InChIInChI=1S/C14H26O/c1-12(2)8-4-3-5-11-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeySJQGCHNWIRBPHP-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds7

About 1-cyclopentyl-7-methyloctan-1-one

1-cyclopentyl-7-methyloctan-1-one (PubChem CID 155793674) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyloctan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-7-methyloctan-1-one
PubChem CID155793674
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-cyclopentyl-7-methyloctan-1-one
SMILESCC(C)CCCCCC(=O)C1CCCC1
InChIInChI=1S/C14H26O/c1-12(2)8-4-3-5-11-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeySJQGCHNWIRBPHP-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
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

1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
1-cyclohexyldecan-1-one
CID 63409715
CID 140659203
CID 140659203
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
7-amino-1-cyclopentylheptan-1-one
CID 116551360
1-cycloheptylpentan-1-one
CID 65399298
1-cyclobutylnonane-1,8-dione
CID 70928486
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclopentyl-5,5-dimethylhexan-1-one
CID 59118963
5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one
CID 171937897
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
1-cyclohexyl-3-methylbutan-1-one
CID 4144247

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methyloctan-1-one?
The IUPAC name of 1-cyclopentyl-7-methyloctan-1-one (CID 155793674) is 1-cyclopentyl-7-methyloctan-1-one.
What is the SMILES notation for 1-cyclopentyl-7-methyloctan-1-one?
The canonical SMILES for 1-cyclopentyl-7-methyloctan-1-one is CC(C)CCCCCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-7-methyloctan-1-one?
The InChIKey is SJQGCHNWIRBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2)8-4-3-5-11-14(15)13-9-6-7-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-7-methyloctan-1-one?
1-cyclopentyl-7-methyloctan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methyloctan-1-one is sourced from PubChem (CID 155793674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).