dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate

C17H20O5 — CID 101161340

IUPACdimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate
SMILESC=C1C(CC)OC(c2ccccc2)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H20O5/c1-5-13-11(2)17(15(18)20-3,16(19)21-4)14(22-13)12-9-7-6-8-10-12/h6-10,13-14H,2,5H2,1,3-4H3
InChIKeyUUXQHBRFRWHRTC-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.43
Rot. Bonds4

About dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate

dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate (PubChem CID 101161340) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate
PubChem CID101161340
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Namedimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate
SMILESC=C1C(CC)OC(c2ccccc2)C1(C(=O)OC)C(=O)OC
InChIInChI=1S/C17H20O5/c1-5-13-11(2)17(15(18)20-3,16(19)21-4)14(22-13)12-9-7-6-8-10-12/h6-10,13-14H,2,5H2,1,3-4H3
InChIKeyUUXQHBRFRWHRTC-UHFFFAOYSA-N
XLogP2.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
CID 101377661
dimethyl (2S,5S)-3-methyl-2,5-diphenyl-1,3-oxazolidine-4,4-dicarboxylate
CID 10043756
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 571094
(2S,3R)-3,5-dimethyl-4-methylidene-3-nitro-2-phenyloxolane
CID 102329001
methyl (1S,3S,3aS,6S,6aR)-4-oxo-1,3,6-triphenyl-1,3,6,6a-tetrahydrofuro[3,4-c]furan-3a-carboxylate
CID 177446641
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 12010021
methyl (1R,3aS,6aR)-6a-methyl-3-oxo-1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]furan-3a-carboxylate
CID 102294596
tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate
CID 101165772
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829
cis-dimethyl (3S,4S)-3-(hydroxymethyl)-4-phenylcyclohexane-1,1-dicarboxylate
CID 102084735
methyl 1-(1-methoxyethenyl)-2-phenylcyclobutane-1-carboxylate
CID 145071818

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate?
The IUPAC name of dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate (CID 101161340) is dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate?
The canonical SMILES for dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate is C=C1C(CC)OC(c2ccccc2)C1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate?
The InChIKey is UUXQHBRFRWHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-5-13-11(2)17(15(18)20-3,16(19)21-4)14(22-13)12-9-7-6-8-10-12/h6-10,13-14H,2,5H2,1,3-4H3.
What are the key properties of dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate?
dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate has a molecular weight of 304.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-ethyl-4-methylidene-2-phenyloxolane-3,3-dicarboxylate is sourced from PubChem (CID 101161340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).