4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one

C12H20O6 — CID 15193626

IUPAC4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(O)(C2OC(C)(C)OCC2=O)CO1
InChIInChI=1S/C12H20O6/c1-10(2)16-6-12(14,7-17-10)9-8(13)5-15-11(3,4)18-9/h9,14H,5-7H2,1-4H3
InChIKeyOCJBULYJLQYHAN-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.22
Rot. Bonds1

About 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one

4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 15193626) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID15193626
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one
SMILESCC1(C)OCC(O)(C2OC(C)(C)OCC2=O)CO1
InChIInChI=1S/C12H20O6/c1-10(2)16-6-12(14,7-17-10)9-8(13)5-15-11(3,4)18-9/h9,14H,5-7H2,1-4H3
InChIKeyOCJBULYJLQYHAN-UHFFFAOYSA-N
XLogP0.22
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,7S,10R,12R,13R)-7-hydroxy-12,13-dimethoxy-4,4,12,13-tetramethyl-3,5,11,14-tetraoxatricyclo[8.4.0.02,7]tetradecan-9-one
CID 25099103
S-[(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] ethanethioate
CID 56958322
(4R)-4-[(R)-hydroxy-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 11696740
(4S)-4-[(S)-(4-bromophenyl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 91987953
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxan-5-one
CID 11769471
diethyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxypropanedioate
CID 11623638
methyl (3S)-3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]pentanoate
CID 15305835
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
(1aS,2R,7aS,7bR)-6,6,7b-trimethyl-1a,2,4,7a-tetrahydrooxireno[2,3-h][1,3]benzodioxin-2-ol
CID 132594237
ethyl (2S)-2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-(4-methoxyanilino)acetate
CID 102320364
(4S)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide
CID 11252443
4-hydroxy-2,2,4-trimethyloxan-3-one
CID 14977611

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one (CID 15193626) is 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one is CC1(C)OCC(O)(C2OC(C)(C)OCC2=O)CO1.
What is the InChIKey of 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is OCJBULYJLQYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-10(2)16-6-12(14,7-17-10)9-8(13)5-15-11(3,4)18-9/h9,14H,5-7H2,1-4H3.
What are the key properties of 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one?
4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 260.29 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 15193626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).