1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one

C14H30O4Si — CID 10493749

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(2,3)11(16)14(17,9-15)10-18-19(7,8)13(4,5)6/h15,17H,9-10H2,1-8H3
InChIKeyCCBVMMMVKNAJPV-UHFFFAOYSA-N
MW290.48 g/mol
LogP2.35
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one

1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one (PubChem CID 10493749) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one
PubChem CID10493749
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(O)(CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(2,3)11(16)14(17,9-15)10-18-19(7,8)13(4,5)6/h15,17H,9-10H2,1-8H3
InChIKeyCCBVMMMVKNAJPV-UHFFFAOYSA-N
XLogP2.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one 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

Acetyl-ditrimethylsilyl-glycerol
CID 129777525
(4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylhexan-3-one
CID 135054442
[2-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4,4-dimethyl-3-oxopentyl] acetate
CID 10544588
1-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxypentan-3-one
CID 14561918

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one (CID 10493749) is 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)C(O)(CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one?
The InChIKey is CCBVMMMVKNAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-12(2,3)11(16)14(17,9-15)10-18-19(7,8)13(4,5)6/h15,17H,9-10H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one?
1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one has a molecular weight of 290.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 10493749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).