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

C15H24O7 — CID 11130885

IUPAC(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2OC(C)(C)OC2=O)O1
InChIInChI=1S/C15H24O7/c1-13(2)17-7-8(18-13)9-10(20-14(3,4)19-9)11-12(16)22-15(5,6)21-11/h8-11H,7H2,1-6H3/t8-,9-,10+,11-/m1/s1
InChIKeyYNMDDWUIMIGGQD-CHWFTXMASA-N
MW316.35 g/mol
LogP1.34
Rot. Bonds2

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

(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 11130885) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID11130885
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2OC(C)(C)OC2=O)O1
InChIInChI=1S/C15H24O7/c1-13(2)17-7-8(18-13)9-10(20-14(3,4)19-9)11-12(16)22-15(5,6)21-11/h8-11H,7H2,1-6H3/t8-,9-,10+,11-/m1/s1
InChIKeyYNMDDWUIMIGGQD-CHWFTXMASA-N
XLogP1.34
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 11130885) is (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H]([C@H]2OC(C)(C)OC2=O)O1.
What is the InChIKey of (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is YNMDDWUIMIGGQD-CHWFTXMASA-N. The full InChI is InChI=1S/C15H24O7/c1-13(2)17-7-8(18-13)9-10(20-14(3,4)19-9)11-12(16)22-15(5,6)21-11/h8-11H,7H2,1-6H3/t8-,9-,10+,11-/m1/s1.
What are the key properties of (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 316.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 11130885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).