ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate

C14H20O3 — CID 11128295

IUPACethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate
SMILESC=C1CC2(CCCCC2=O)CC1C(=O)OCC
InChIInChI=1S/C14H20O3/c1-3-17-13(16)11-9-14(8-10(11)2)7-5-4-6-12(14)15/h11H,2-9H2,1H3
InChIKeyNPASWGIWTVEAGV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.65
Rot. Bonds2

About ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate

ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate (PubChem CID 11128295) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate
PubChem CID11128295
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate
SMILESC=C1CC2(CCCCC2=O)CC1C(=O)OCC
InChIInChI=1S/C14H20O3/c1-3-17-13(16)11-9-14(8-10(11)2)7-5-4-6-12(14)15/h11H,2-9H2,1H3
InChIKeyNPASWGIWTVEAGV-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 7-methyl-9-oxospiro[4.5]dec-7-ene-6-carboxylate
CID 68724534
ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-prop-1-en-2-ylcyclopentyl]acetate
CID 11299013
methyl (3S,5R,6R)-6-methyl-10-methylidenespiro[4.5]decane-3-carboxylate
CID 11550331
Ethyl 2-methylidene-10-oxo-4-tributylstannylspiro[4.5]decane-3-carboxylate
CID 11731084
ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetate
CID 13572317
ethyl (1R,5R)-6-methylidene-2-oxobicyclo[3.2.1]octane-1-carboxylate
CID 15064857
[(1R,2S,5R)-2-(2-methoxy-2-oxoethyl)-6-methylidene-4-oxo-1-bicyclo[3.2.1]octanyl]methyl 2,2-dimethylpropanoate
CID 44127230
Ethyl 4-methyl-2-[(1-methyl-3-oxocyclohexyl)methyl]pent-4-enoate
CID 101265618
methyl (3S)-3-[(1R)-4,4-dimethyl-2-oxo-1-prop-2-enylcyclopentyl]butanoate
CID 134860923
ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate
CID 134953590
Ethyl 1-(cyclohexanecarbonyl)-2-methylidenecyclopentane-1-carboxylate
CID 135054220
ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclohexyl]propanoate
CID 135056172

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate?
The IUPAC name of ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate (CID 11128295) is ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate.
What is the SMILES notation for ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate?
The canonical SMILES for ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate is C=C1CC2(CCCCC2=O)CC1C(=O)OCC.
What is the InChIKey of ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate?
The InChIKey is NPASWGIWTVEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-17-13(16)11-9-14(8-10(11)2)7-5-4-6-12(14)15/h11H,2-9H2,1H3.
What are the key properties of ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate?
ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 11128295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).