4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one

C13H24O6 — CID 70383751

IUPAC4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one
SMILESCOC(OC)C(=O)CC(O)C1(C)OC(C)(C)OC1C
InChIInChI=1S/C13H24O6/c1-8-13(4,19-12(2,3)18-8)10(15)7-9(14)11(16-5)17-6/h8,10-11,15H,7H2,1-6H3
InChIKeyPRZRWJCXKMFROA-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.86
Rot. Bonds6

About 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one

4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one (PubChem CID 70383751) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one.

Molecular Properties

Compound Name4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one
PubChem CID70383751
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one
SMILESCOC(OC)C(=O)CC(O)C1(C)OC(C)(C)OC1C
InChIInChI=1S/C13H24O6/c1-8-13(4,19-12(2,3)18-8)10(15)7-9(14)11(16-5)17-6/h8,10-11,15H,7H2,1-6H3
InChIKeyPRZRWJCXKMFROA-UHFFFAOYSA-N
XLogP0.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one?
The IUPAC name of 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one (CID 70383751) is 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one.
What is the SMILES notation for 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one?
The canonical SMILES for 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one is COC(OC)C(=O)CC(O)C1(C)OC(C)(C)OC1C.
What is the InChIKey of 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one?
The InChIKey is PRZRWJCXKMFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-8-13(4,19-12(2,3)18-8)10(15)7-9(14)11(16-5)17-6/h8,10-11,15H,7H2,1-6H3.
What are the key properties of 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one?
4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one has a molecular weight of 276.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one is sourced from PubChem (CID 70383751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).