methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate

C9H16O4 — CID 70329266

IUPACmethyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@]1(C)OC(C)(C)O[C@H]1C
InChIInChI=1S/C9H16O4/c1-6-9(4,7(10)11-5)13-8(2,3)12-6/h6H,1-5H3/t6-,9+/m0/s1
InChIKeyDIQJBVXSBQPWOL-IMTBSYHQSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds1

About methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate

methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate (PubChem CID 70329266) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate
PubChem CID70329266
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)[C@]1(C)OC(C)(C)O[C@H]1C
InChIInChI=1S/C9H16O4/c1-6-9(4,7(10)11-5)13-8(2,3)12-6/h6H,1-5H3/t6-,9+/m0/s1
InChIKeyDIQJBVXSBQPWOL-IMTBSYHQSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5S)-2,2,4,5-tetramethyl-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,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate (CID 70329266) is methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate is COC(=O)[C@]1(C)OC(C)(C)O[C@H]1C.
What is the InChIKey of methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is DIQJBVXSBQPWOL-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H16O4/c1-6-9(4,7(10)11-5)13-8(2,3)12-6/h6H,1-5H3/t6-,9+/m0/s1.
What are the key properties of methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate?
methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 70329266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).