[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate

C16H30O8Si — CID 74765278

IUPAC[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate
SMILESCC(=O)OC(C(O)C=O)C(OC(C)=O)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O8Si/c1-10(18)23-14(12(20)8-17)15(24-11(2)19)13(21)9-22-25(6,7)16(3,4)5/h8,12-15,20-21H,9H2,1-7H3
InChIKeyDGPMSALVNCCUAW-UHFFFAOYSA-N
MW378.49 g/mol
LogP0.79
Rot. Bonds9

About [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate

[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate (PubChem CID 74765278) has the molecular formula C16H30O8Si and a molecular weight of 378.49 g/mol. Its IUPAC name is [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate.

Molecular Properties

Compound Name[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate
PubChem CID74765278
Molecular FormulaC16H30O8Si
Molecular Weight378.49 g/mol
Exact Mass378.17
IUPAC Name[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate
SMILESCC(=O)OC(C(O)C=O)C(OC(C)=O)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O8Si/c1-10(18)23-14(12(20)8-17)15(24-11(2)19)13(21)9-22-25(6,7)16(3,4)5/h8,12-15,20-21H,9H2,1-7H3
InChIKeyDGPMSALVNCCUAW-UHFFFAOYSA-N
XLogP0.79
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-(1-Carboxyethyl)-O-galactose
CID 195135
Glucose-3 butyrate
CID 21121273
D-Glucose, 2,3,4,6-tetraacetate
CID 22810828
D-Glucuronic acid, methyl ester, 2,3,4-triacetate
CID 22822746
CID 53837548
CID 53837548
Glucose tetraacetate
CID 54201732
CID 54459859
CID 54459859
Glucose-6-lactate
CID 87355898
[(2R,3R,4R,5S)-2,3,4-triacetyloxy-5-hydroxy-6-oxohexyl] acetate
CID 87733146
Glucose 3-hydroxybutyrate
CID 87836823
4-O-[(r)-1-carboxyethyl]-d-glucose
CID 117831302
4-O-[1-carboxyethyl]mannose
CID 121434213

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate?
The IUPAC name of [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate (CID 74765278) is [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate.
What is the SMILES notation for [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate?
The canonical SMILES for [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate is CC(=O)OC(C(O)C=O)C(OC(C)=O)C(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate?
The InChIKey is DGPMSALVNCCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O8Si/c1-10(18)23-14(12(20)8-17)15(24-11(2)19)13(21)9-22-25(6,7)16(3,4)5/h8,12-15,20-21H,9H2,1-7H3.
What are the key properties of [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate?
[4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate has a molecular weight of 378.49 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate is sourced from PubChem (CID 74765278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).