methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

C14H18O6 — CID 101497110

IUPACmethyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)CC1=C(C(=O)OC)C2(CCCCC2)OC1=O
InChIInChI=1S/C14H18O6/c1-18-10(15)8-9-11(13(17)19-2)14(20-12(9)16)6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyWKXNYAYAHGNNBD-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.28
Rot. Bonds3

About methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (PubChem CID 101497110) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
PubChem CID101497110
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namemethyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)CC1=C(C(=O)OC)C2(CCCCC2)OC1=O
InChIInChI=1S/C14H18O6/c1-18-10(15)8-9-11(13(17)19-2)14(20-12(9)16)6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyWKXNYAYAHGNNBD-UHFFFAOYSA-N
XLogP1.28
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-hexyl-5-oxo-4-propan-2-ylideneoxolane-3-carboxylic acid
CID 44582371
(2R,3S)-2-heptyl-5-oxo-4-propan-2-ylideneoxolane-3-carboxylic acid
CID 44582372
Methyl 3-methyl-2-oxo-1-oxaspiro(4.5)dec-3-ene-4-carboxylate
CID 596948
3-Methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylic acid
CID 596774
Methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
methyl (S)-3-oxo-1-((S)-2,3,4-trimethyl-5-oxo-2,5-dihydrofuran-2-yl)cyclohexane-1-carboxylate
CID 139598352
Arthrianhydride B
CID 170989040
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
CID 574542
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-4-en-2-one
CID 597483
Acetic acid, 1-(cyclopentan-3-one-1-yl)-1-(7-oxabicyclo[4.1.0]heptyl)-, ethyl ester
CID 5372206
Methyl 9-methyl-7-oxo-6-oxaspiro[4.5]dec-8-ene-10-carboxylate
CID 14091970
Diethyl 2-(4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)propanedioate
CID 46896220

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The IUPAC name of methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (CID 101497110) is methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The canonical SMILES for methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate is COC(=O)CC1=C(C(=O)OC)C2(CCCCC2)OC1=O.
What is the InChIKey of methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The InChIKey is WKXNYAYAHGNNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-18-10(15)8-9-11(13(17)19-2)14(20-12(9)16)6-4-3-5-7-14/h3-8H2,1-2H3.
What are the key properties of methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-2-oxoethyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate is sourced from PubChem (CID 101497110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).