(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one

C12H20O5 — CID 134859670

IUPAC(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCCC1(CC)OC[C@H]([C@H]2OC(C)(C)OC2=O)O1
InChIInChI=1S/C12H20O5/c1-5-12(6-2)14-7-8(15-12)9-10(13)17-11(3,4)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyQGWZXPMNWWIMLX-RKDXNWHRSA-N
MW244.29 g/mol
LogP1.60
Rot. Bonds3

About (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one

(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 134859670) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID134859670
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCCC1(CC)OC[C@H]([C@H]2OC(C)(C)OC2=O)O1
InChIInChI=1S/C12H20O5/c1-5-12(6-2)14-7-8(15-12)9-10(13)17-11(3,4)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyQGWZXPMNWWIMLX-RKDXNWHRSA-N
XLogP1.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one with MolForge

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Related Compounds

Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
(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
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
2,3-O-Isopropylidene-D-erythronolactone
CID 386843
Methyl (4R,5S)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 853434
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
2,2-Dimethyldihydrofuro(3,4-d)(1,3)dioxol-4(3aH)-one
CID 496107
4,5-Diethyl 2-oxo-1,3-dioxolane-4,5-dicarboxylate
CID 67805693

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 134859670) is (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one is CCC1(CC)OC[C@H]([C@H]2OC(C)(C)OC2=O)O1.
What is the InChIKey of (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is QGWZXPMNWWIMLX-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20O5/c1-5-12(6-2)14-7-8(15-12)9-10(13)17-11(3,4)16-9/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
(5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 244.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 134859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).