ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate

C19H26O2 — CID 10424123

IUPACethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
SMILESCCOC(=O)CCC(Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C19H26O2/c1-2-21-19(20)14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3,5-6,9-11,18H,2,4,7-8,12-15H2,1H3
InChIKeyWXPWAGQLQAPNFD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.69
Rot. Bonds7

About ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate

ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate (PubChem CID 10424123) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
PubChem CID10424123
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Nameethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
SMILESCCOC(=O)CCC(Cc1ccccc1)C1=CCCCC1
InChIInChI=1S/C19H26O2/c1-2-21-19(20)14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3,5-6,9-11,18H,2,4,7-8,12-15H2,1H3
InChIKeyWXPWAGQLQAPNFD-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)pentanoate
CID 10471732
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
benzyl-(3-ethoxy-3-oxopropyl)-diphenylphosphanium
CID 6332715
ethyl 3-benzyl-4-oxobutanoate
CID 54373110
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate?
The IUPAC name of ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate (CID 10424123) is ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate.
What is the SMILES notation for ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate?
The canonical SMILES for ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate is CCOC(=O)CCC(Cc1ccccc1)C1=CCCCC1.
What is the InChIKey of ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate?
The InChIKey is WXPWAGQLQAPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-21-19(20)14-13-18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3,5-6,9-11,18H,2,4,7-8,12-15H2,1H3.
What are the key properties of ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate?
ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate has a molecular weight of 286.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate is sourced from PubChem (CID 10424123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).