ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate

C16H24O3 — CID 135054220

IUPACethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OCC)C(=O)C1CCCCC1
InChIInChI=1S/C16H24O3/c1-3-19-15(18)16(11-7-8-12(16)2)14(17)13-9-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyHDMWCOLFWGDQLX-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.43
Rot. Bonds4

About ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate

ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate (PubChem CID 135054220) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate
PubChem CID135054220
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nameethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCCC1(C(=O)OCC)C(=O)C1CCCCC1
InChIInChI=1S/C16H24O3/c1-3-19-15(18)16(11-7-8-12(16)2)14(17)13-9-5-4-6-10-13/h13H,2-11H2,1H3
InChIKeyHDMWCOLFWGDQLX-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
CID 300027
Ethyl (R)-1-Allyl-2-oxocyclohexanecarboxylate
CID 11106631
Ethyl 2-acetyl-4-(1-acetyl-2-oxocyclohexyl)-2-fluoropent-4-enoate
CID 134853347
cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
ethyl 3-oxo-4-[(1R)-1,3,3-trimethyl-2-methylidenecyclohexyl]butanoate
CID 102243752
Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate
CID 13676928
ethyl 2-oxo-1-[(Z)-5-tributylstannylpent-4-enyl]cyclohexane-1-carboxylate
CID 10697444
ethyl (3aR,7aS)-3-methylidene-4-oxo-1,2,5,6,7,7a-hexahydroindene-3a-carboxylate
CID 10889491
ethyl (1S)-1-allyl-2-oxo-cyclohexanecarboxylate
CID 11074660
Ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate
CID 11128295
ethyl 1-[(E)-oct-1-enyl]-2-oxocyclohexane-1-carboxylate
CID 11196756
Cyclohexanecarboxylic acid, 2-oxo-3-(2-propenyl)-, ethyl ester
CID 11413164

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate (CID 135054220) is ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate is C=C1CCCC1(C(=O)OCC)C(=O)C1CCCCC1.
What is the InChIKey of ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate?
The InChIKey is HDMWCOLFWGDQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-19-15(18)16(11-7-8-12(16)2)14(17)13-9-5-4-6-10-13/h13H,2-11H2,1H3.
What are the key properties of ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate?
ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate has a molecular weight of 264.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 135054220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).