1-(2,2-dimethylcyclopentyl)heptan-1-one

C14H26O — CID 107186757

IUPAC1-(2,2-dimethylcyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1CCCC1(C)C
InChIInChI=1S/C14H26O/c1-4-5-6-7-10-13(15)12-9-8-11-14(12,2)3/h12H,4-11H2,1-3H3
InChIKeyZIVSJYUTRWDLCP-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds6

About 1-(2,2-dimethylcyclopentyl)heptan-1-one

1-(2,2-dimethylcyclopentyl)heptan-1-one (PubChem CID 107186757) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)heptan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)heptan-1-one
PubChem CID107186757
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(2,2-dimethylcyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1CCCC1(C)C
InChIInChI=1S/C14H26O/c1-4-5-6-7-10-13(15)12-9-8-11-14(12,2)3/h12H,4-11H2,1-3H3
InChIKeyZIVSJYUTRWDLCP-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
1-(2,2-dimethylcyclopentyl)pent-4-yn-1-one
CID 107186959
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclohexyldecan-1-one
CID 63409715
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
1-(2-amino-1-methylcyclopentyl)octan-1-one
CID 116607169
1-cycloheptylpentan-1-one
CID 65399298
1-[(1R,2S,3R)-2-acetyl-3-hydroxy-3-methylcyclopentyl]nonan-1-one
CID 101432557
cyclohexane;octanoyl chloride
CID 175478267
1-(7-bicyclo[4.1.0]heptanyl)hexan-1-one
CID 114966956
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
1-(2-methylcyclopentyl)decan-1-one
CID 107186745

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)heptan-1-one?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)heptan-1-one (CID 107186757) is 1-(2,2-dimethylcyclopentyl)heptan-1-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)heptan-1-one?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)heptan-1-one is CCCCCCC(=O)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)heptan-1-one?
The InChIKey is ZIVSJYUTRWDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-10-13(15)12-9-8-11-14(12,2)3/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)heptan-1-one?
1-(2,2-dimethylcyclopentyl)heptan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)heptan-1-one is sourced from PubChem (CID 107186757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).