methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate

C14H24O3 — CID 58176007

IUPACmethyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate
SMILESCOC(=O)CC(C)(C)CC(=O)CC1CCCC1
InChIInChI=1S/C14H24O3/c1-14(2,10-13(16)17-3)9-12(15)8-11-6-4-5-7-11/h11H,4-10H2,1-3H3
InChIKeyZLGOKZZOXOLBLF-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.12
Rot. Bonds6

About methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate

methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate (PubChem CID 58176007) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate
PubChem CID58176007
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate
SMILESCOC(=O)CC(C)(C)CC(=O)CC1CCCC1
InChIInChI=1S/C14H24O3/c1-14(2,10-13(16)17-3)9-12(15)8-11-6-4-5-7-11/h11H,4-10H2,1-3H3
InChIKeyZLGOKZZOXOLBLF-UHFFFAOYSA-N
XLogP3.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
1-cyclohexyl-5,5-dimethylhexane-2,4-dione
CID 14227231
methyl 3,3,7-trimethyl-5-oxooctanoate
CID 96611955
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
methyl 3,3-dimethyl-5-(2-methylazepan-1-yl)-5-oxopentanoate
CID 75483232
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
methyl 3,3-dimethylpentanoate
CID 3757207
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
CID 116557677
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate?
The IUPAC name of methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate (CID 58176007) is methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate.
What is the SMILES notation for methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate?
The canonical SMILES for methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate is COC(=O)CC(C)(C)CC(=O)CC1CCCC1.
What is the InChIKey of methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate?
The InChIKey is ZLGOKZZOXOLBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(2,10-13(16)17-3)9-12(15)8-11-6-4-5-7-11/h11H,4-10H2,1-3H3.
What are the key properties of methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate?
methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate has a molecular weight of 240.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopentyl-3,3-dimethyl-5-oxohexanoate is sourced from PubChem (CID 58176007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).