dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate

C16H20O5 — CID 101377661

IUPACdimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
SMILESCC[C@H]1O[C@@H](c2ccccc2)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H20O5/c1-4-13-16(14(17)19-2,15(18)20-3)10-12(21-13)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m1/s1
InChIKeyIZWWHTVMTGHDEL-CHWSQXEVSA-N
MW292.33 g/mol
LogP2.26
Rot. Bonds4

About dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate

dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate (PubChem CID 101377661) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
PubChem CID101377661
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namedimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate
SMILESCC[C@H]1O[C@@H](c2ccccc2)CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H20O5/c1-4-13-16(14(17)19-2,15(18)20-3)10-12(21-13)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m1/s1
InChIKeyIZWWHTVMTGHDEL-CHWSQXEVSA-N
XLogP2.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzyl laurate
CID 8791
Benzyl caprate
CID 562246
gamma-Phenyl-gamma-butyrolactone
CID 13884
2-Furoic acid, tetrahydro-5-oxo-2-phenyl-, methyl ester
CID 123302
Benzyl nonanoate
CID 80960
3,3,5,5-Tetramethyl-6-phenyldihydro-2H-pyran-2,4(3H)-dione
CID 534358
2(3H)-Furanone, dihydro-3-methylene-5-phenyl-
CID 176437
4-Acetyl-5-phenyloxolan-2-one
CID 3040835
1-Phenylethyl hexanoate
CID 103018
PPG-3 benzyl ether myristate
CID 139033530
tert-butyl (E)-3-[(3S,6S)-6-(2-oxo-2-phenylmethoxyethyl)dioxan-3-yl]prop-2-enoate
CID 53380494
benzyl 2-[(3S,6S)-6-[(E)-3-oxobut-1-enyl]dioxan-3-yl]acetate
CID 56660093

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate?
The IUPAC name of dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate (CID 101377661) is dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate is CC[C@H]1O[C@@H](c2ccccc2)CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate?
The InChIKey is IZWWHTVMTGHDEL-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20O5/c1-4-13-16(14(17)19-2,15(18)20-3)10-12(21-13)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate?
dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R)-2-ethyl-5-phenyloxolane-3,3-dicarboxylate is sourced from PubChem (CID 101377661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).