(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one

C11H16O6 — CID 10977677

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@@H]([C@@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C11H16O6/c1-11(2)15-5-6(17-11)7-8(13-3)9(14-4)10(12)16-7/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyWYLJAFOQULODLP-NKWVEPMBSA-N
MW244.24 g/mol
LogP0.57
Rot. Bonds3

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one (PubChem CID 10977677) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one
PubChem CID10977677
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@@H]([C@@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C11H16O6/c1-11(2)15-5-6(17-11)7-8(13-3)9(14-4)10(12)16-7/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
InChIKeyWYLJAFOQULODLP-NKWVEPMBSA-N
XLogP0.57
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one (CID 10977677) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one is COC1=C(OC)[C@@H]([C@@H]2COC(C)(C)O2)OC1=O.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one?
The InChIKey is WYLJAFOQULODLP-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H16O6/c1-11(2)15-5-6(17-11)7-8(13-3)9(14-4)10(12)16-7/h6-7H,5H2,1-4H3/t6-,7+/m0/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one has a molecular weight of 244.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 10977677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).