methyl 5-cyclohexyl-2-oxoheptanoate

C14H24O3 — CID 11746744

IUPACmethyl 5-cyclohexyl-2-oxoheptanoate
SMILESCCC(CCC(=O)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-3-11(12-7-5-4-6-8-12)9-10-13(15)14(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyZJQHHZQXFLYVJF-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.12
Rot. Bonds6

About methyl 5-cyclohexyl-2-oxoheptanoate

methyl 5-cyclohexyl-2-oxoheptanoate (PubChem CID 11746744) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is methyl 5-cyclohexyl-2-oxoheptanoate.

Molecular Properties

Compound Namemethyl 5-cyclohexyl-2-oxoheptanoate
PubChem CID11746744
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namemethyl 5-cyclohexyl-2-oxoheptanoate
SMILESCCC(CCC(=O)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H24O3/c1-3-11(12-7-5-4-6-8-12)9-10-13(15)14(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyZJQHHZQXFLYVJF-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

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-cyclohexyl-2-oxopentanoate
CID 174214422
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
5-cyclohexylheptan-2-ol
CID 89364025
5-amino-4-cyclohexyl-N-propan-2-ylpentanamide
CID 112515743
1,3-dicyclohexylpentan-1-one
CID 145376724
dimethyl 2-cyclohexylpropanedioate
CID 2793740
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172
methyl 4-cyclohexylpentanoate
CID 174916606
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
2-amino-4-cyclohexylhexanoic acid
CID 19433409
methyl 3-cycloheptyl-4-hydroxybutanoate
CID 105467921

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexyl-2-oxoheptanoate?
The IUPAC name of methyl 5-cyclohexyl-2-oxoheptanoate (CID 11746744) is methyl 5-cyclohexyl-2-oxoheptanoate.
What is the SMILES notation for methyl 5-cyclohexyl-2-oxoheptanoate?
The canonical SMILES for methyl 5-cyclohexyl-2-oxoheptanoate is CCC(CCC(=O)C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 5-cyclohexyl-2-oxoheptanoate?
The InChIKey is ZJQHHZQXFLYVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-11(12-7-5-4-6-8-12)9-10-13(15)14(16)17-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 5-cyclohexyl-2-oxoheptanoate?
methyl 5-cyclohexyl-2-oxoheptanoate 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 5-cyclohexyl-2-oxoheptanoate is sourced from PubChem (CID 11746744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).