methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate

C15H20O4 — CID 175002789

IUPACmethyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate
SMILESCCC1(CC)O[C@H](c2ccccc2)[C@H](C(=O)OC)O1
InChIInChI=1S/C15H20O4/c1-4-15(5-2)18-12(11-9-7-6-8-10-11)13(19-15)14(16)17-3/h6-10,12-13H,4-5H2,1-3H3/t12-,13-/m1/s1
InChIKeyFVZVGQXENGKWNR-CHWSQXEVSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds4

About methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate

methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate (PubChem CID 175002789) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate
PubChem CID175002789
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate
SMILESCCC1(CC)O[C@H](c2ccccc2)[C@H](C(=O)OC)O1
InChIInChI=1S/C15H20O4/c1-4-15(5-2)18-12(11-9-7-6-8-10-11)13(19-15)14(16)17-3/h6-10,12-13H,4-5H2,1-3H3/t12-,13-/m1/s1
InChIKeyFVZVGQXENGKWNR-CHWSQXEVSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate (CID 175002789) is methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate is CCC1(CC)O[C@H](c2ccccc2)[C@H](C(=O)OC)O1.
What is the InChIKey of methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The InChIKey is FVZVGQXENGKWNR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-15(5-2)18-12(11-9-7-6-8-10-11)13(19-15)14(16)17-3/h6-10,12-13H,4-5H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 175002789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).