methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate

C15H18O4 — CID 70976685

IUPACmethyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate
SMILESCCc1cccc(C2(C)OC(C(=O)OC)CC2=O)c1
InChIInChI=1S/C15H18O4/c1-4-10-6-5-7-11(8-10)15(2)13(16)9-12(19-15)14(17)18-3/h5-8,12H,4,9H2,1-3H3
InChIKeyINRGPQZFIDVTSY-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds3

About methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate

methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate (PubChem CID 70976685) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate
PubChem CID70976685
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namemethyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate
SMILESCCc1cccc(C2(C)OC(C(=O)OC)CC2=O)c1
InChIInChI=1S/C15H18O4/c1-4-10-6-5-7-11(8-10)15(2)13(16)9-12(19-15)14(17)18-3/h5-8,12H,4,9H2,1-3H3
InChIKeyINRGPQZFIDVTSY-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate?
The IUPAC name of methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate (CID 70976685) is methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate?
The canonical SMILES for methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate is CCc1cccc(C2(C)OC(C(=O)OC)CC2=O)c1.
What is the InChIKey of methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate?
The InChIKey is INRGPQZFIDVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-10-6-5-7-11(8-10)15(2)13(16)9-12(19-15)14(17)18-3/h5-8,12H,4,9H2,1-3H3.
What are the key properties of methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate?
methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-ethylphenyl)-5-methyl-4-oxooxolane-2-carboxylate is sourced from PubChem (CID 70976685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).