dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate

C10H16O6 — CID 14992898

IUPACdimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(C(C)C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H16O6/c1-5(2)10-15-6(8(11)13-3)7(16-10)9(12)14-4/h5-7,10H,1-4H3/t6-,7-/m1/s1
InChIKeyIGCXGHHXIQSSBV-RNFRBKRXSA-N
MW232.23 g/mol
LogP0.10
Rot. Bonds3

About dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate

dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 14992898) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
PubChem CID14992898
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)[C@@H]1OC(C(C)C)O[C@H]1C(=O)OC
InChIInChI=1S/C10H16O6/c1-5(2)10-15-6(8(11)13-3)7(16-10)9(12)14-4/h5-7,10H,1-4H3/t6-,7-/m1/s1
InChIKeyIGCXGHHXIQSSBV-RNFRBKRXSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-Dimethyl-2,3-O-isopropylidene tartrate
CID 688155
4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 688156
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
CID 245393
(4R,5R)-Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 774789
Diethyl 1,3-dioxolane-4,5-dicarboxylate
CID 575846
Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 615621
4,5-Diethyl 2-oxo-1,3-dioxolane-4,5-dicarboxylate
CID 67805693
(3R,4R)-3,4-bis(oxolan-2-yloxy)oxolan-2-one
CID 44343158
Dimethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
CID 249518
2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
CID 10899674
Dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 318276
diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
CID 14640162

Frequently Asked Questions

What is the IUPAC name of dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate (CID 14992898) is dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate is COC(=O)[C@@H]1OC(C(C)C)O[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is IGCXGHHXIQSSBV-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16O6/c1-5(2)10-15-6(8(11)13-3)7(16-10)9(12)14-4/h5-7,10H,1-4H3/t6-,7-/m1/s1.
What are the key properties of dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate?
dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4R,5R)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 14992898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).