[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C12H20O6 — CID 135021288

IUPAC[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](COC(=O)[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyGVKVORYHJGJXQF-BDAKNGLRSA-N
MW260.29 g/mol
LogP0.83
Rot. Bonds3

About [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 135021288) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID135021288
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](COC(=O)[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyGVKVORYHJGJXQF-BDAKNGLRSA-N
XLogP0.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate with MolForge

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Related Compounds

Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
2,3-O-Isopropylidene-D-erythronolactone
CID 386843
potassium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 23678351
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 853434
(4R,5R)-Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 774789
Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 615621
2,2-Dimethyldihydrofuro(3,4-d)(1,3)dioxol-4(3aH)-one
CID 496107
2,2-Diethyl 1,3-dioxolane-2,2-dicarboxylate
CID 12347879
Methyl 2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 4523932
diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
CID 14640162

Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 135021288) is [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)OC[C@@H](COC(=O)[C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is GVKVORYHJGJXQF-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H20O6/c1-11(2)15-6-8(17-11)5-14-10(13)9-7-16-12(3,4)18-9/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 135021288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).