ethyl 2-acetyl-5-cyclohexylpentanoate

C15H26O3 — CID 18370639

IUPACethyl 2-acetyl-5-cyclohexylpentanoate
SMILESCCOC(=O)C(CCCC1CCCCC1)C(C)=O
InChIInChI=1S/C15H26O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h13-14H,3-11H2,1-2H3
InChIKeyBXDLSIWYTXFDPI-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.51
Rot. Bonds7

About ethyl 2-acetyl-5-cyclohexylpentanoate

ethyl 2-acetyl-5-cyclohexylpentanoate (PubChem CID 18370639) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-acetyl-5-cyclohexylpentanoate.

Molecular Properties

Compound Nameethyl 2-acetyl-5-cyclohexylpentanoate
PubChem CID18370639
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 2-acetyl-5-cyclohexylpentanoate
SMILESCCOC(=O)C(CCCC1CCCCC1)C(C)=O
InChIInChI=1S/C15H26O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h13-14H,3-11H2,1-2H3
InChIKeyBXDLSIWYTXFDPI-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
4-(3-cyclohexylpropoxy)-2-ethoxycarbonylbutanoic acid
CID 54183825
ethyl acetate;hexylcyclohexane
CID 23285784
ethane;ethyl 2-acetylhexanoate
CID 90770730
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl 2-acetyltridecanoate
CID 539486
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
ethyl 2-acetyl-8-methylnonanoate
CID 18370281
2-(3-cyclopentylpropoxy)-3-ethoxy-3-oxopropanoic acid
CID 54245695
heptylcyclohexane;propan-2-one
CID 143570854
ethyl 2-acetyl-8-bromooctanoate
CID 21429321
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-5-cyclohexylpentanoate?
The IUPAC name of ethyl 2-acetyl-5-cyclohexylpentanoate (CID 18370639) is ethyl 2-acetyl-5-cyclohexylpentanoate.
What is the SMILES notation for ethyl 2-acetyl-5-cyclohexylpentanoate?
The canonical SMILES for ethyl 2-acetyl-5-cyclohexylpentanoate is CCOC(=O)C(CCCC1CCCCC1)C(C)=O.
What is the InChIKey of ethyl 2-acetyl-5-cyclohexylpentanoate?
The InChIKey is BXDLSIWYTXFDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-18-15(17)14(12(2)16)11-7-10-13-8-5-4-6-9-13/h13-14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-acetyl-5-cyclohexylpentanoate?
ethyl 2-acetyl-5-cyclohexylpentanoate has a molecular weight of 254.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-5-cyclohexylpentanoate is sourced from PubChem (CID 18370639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).