methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate

C10H16O5 — CID 58922985

IUPACmethyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate
SMILESCCC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-5-6(11)7-8(9(12)13-4)15-10(2,3)14-7/h7-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyXMPHPEJDYZGETI-JGVFFNPUSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds3

About methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate

methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate (PubChem CID 58922985) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate
PubChem CID58922985
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate
SMILESCCC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-5-6(11)7-8(9(12)13-4)15-10(2,3)14-7/h7-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyXMPHPEJDYZGETI-JGVFFNPUSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate (CID 58922985) is methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate is CCC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC.
What is the InChIKey of methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate?
The InChIKey is XMPHPEJDYZGETI-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-6(11)7-8(9(12)13-4)15-10(2,3)14-7/h7-8H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-2,2-dimethyl-5-propanoyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 58922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).