methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate

C15H24O4 — CID 134960267

IUPACmethyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate
SMILESC=C[C@H](OCC(=O)CCC(=O)OC)C1CCCCC1
InChIInChI=1S/C15H24O4/c1-3-14(12-7-5-4-6-8-12)19-11-13(16)9-10-15(17)18-2/h3,12,14H,1,4-11H2,2H3/t14-/m0/s1
InChIKeyXYRZGTQNVUTCDF-AWEZNQCLSA-N
MW268.35 g/mol
LogP2.66
Rot. Bonds8

About methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate

methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate (PubChem CID 134960267) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate
PubChem CID134960267
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate
SMILESC=C[C@H](OCC(=O)CCC(=O)OC)C1CCCCC1
InChIInChI=1S/C15H24O4/c1-3-14(12-7-5-4-6-8-12)19-11-13(16)9-10-15(17)18-2/h3,12,14H,1,4-11H2,2H3/t14-/m0/s1
InChIKeyXYRZGTQNVUTCDF-AWEZNQCLSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
methyl 4-cyclohexylpentanoate
CID 174916606
methyl N-(1-cyclohexylprop-2-enyl)carbamate
CID 121221949
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
cyclohexanol;dimethyl hexanedioate
CID 19805859
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
methyl 3-cycloheptyl-4-hydroxybutanoate
CID 105467921
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate?
The IUPAC name of methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate (CID 134960267) is methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate?
The canonical SMILES for methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate is C=C[C@H](OCC(=O)CCC(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate?
The InChIKey is XYRZGTQNVUTCDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-14(12-7-5-4-6-8-12)19-11-13(16)9-10-15(17)18-2/h3,12,14H,1,4-11H2,2H3/t14-/m0/s1.
What are the key properties of methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate?
methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate has a molecular weight of 268.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1S)-1-cyclohexylprop-2-enoxy]-4-oxopentanoate is sourced from PubChem (CID 134960267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).