1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C12H20O5 — CID 11368539

IUPAC1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H20O5/c1-7(13)9-10(17-12(4,5)16-9)8-6-14-11(2,3)15-8/h8-10H,6H2,1-5H3/t8-,9-,10-/m0/s1
InChIKeyCXZICRIDYZTQFN-GUBZILKMSA-N
MW244.29 g/mol
LogP1.25
Rot. Bonds2

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

1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11368539) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11368539
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H20O5/c1-7(13)9-10(17-12(4,5)16-9)8-6-14-11(2,3)15-8/h8-10H,6H2,1-5H3/t8-,9-,10-/m0/s1
InChIKeyCXZICRIDYZTQFN-GUBZILKMSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3:4,5-Bis-O-(1-methylethylidene)-D-xylose
CID 10242941
(4S,5S)-5-[(4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11311453
(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11253215
2,3:4,5-Di-o-isopropylidene-d-arabinose
CID 10966305
(4S,4'S,5R)-2,2,2',2'-Tetramethyl-[4,4'-bi(1,3-dioxolane)]-5-carbaldehyde
CID 11064240
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)butane-1,3-dione
CID 59684842
(4R,4'S,5S,5'R)-dimethyl 2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolane)]-5,5'-dicarboxylate
CID 68548147
Vfgwjiqtafpnqz-uhfffaoysa-
CID 12651667
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 157090851
(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10922311
2-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 14462488
(4R,5S)-5-((S)-2,4,7,9-Tetraoxadecan-5-yl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 44511269

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11368539) is 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is CXZICRIDYZTQFN-GUBZILKMSA-N. The full InChI is InChI=1S/C12H20O5/c1-7(13)9-10(17-12(4,5)16-9)8-6-14-11(2,3)15-8/h8-10H,6H2,1-5H3/t8-,9-,10-/m0/s1.
What are the key properties of 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11368539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).