(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one

C10H22O2Si — CID 11658493

IUPAC(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one
SMILES[2H][C@H](CO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C10H22O2Si/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7-8H2,1-6H3/i7D/t7-/m1/s1
InChIKeyFNQOZVBPYZGHNO-ZVGOLAHJSA-N
MW203.38 g/mol
LogP2.99
Rot. Bonds4

About (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one

(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one (PubChem CID 11658493) has the molecular formula C10H22O2Si and a molecular weight of 203.38 g/mol. Its IUPAC name is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one.

Molecular Properties

Compound Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one
PubChem CID11658493
Molecular FormulaC10H22O2Si
Molecular Weight203.38 g/mol
Exact Mass203.15
IUPAC Name(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one
SMILES[2H][C@H](CO[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C10H22O2Si/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7-8H2,1-6H3/i7D/t7-/m1/s1
InChIKeyFNQOZVBPYZGHNO-ZVGOLAHJSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one?
The IUPAC name of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one (CID 11658493) is (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one.
What is the SMILES notation for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one?
The canonical SMILES for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one is [2H][C@H](CO[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one?
The InChIKey is FNQOZVBPYZGHNO-ZVGOLAHJSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(11)7-8-12-13(5,6)10(2,3)4/h7-8H2,1-6H3/i7D/t7-/m1/s1.
What are the key properties of (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one?
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one has a molecular weight of 203.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-deuteriobutan-2-one is sourced from PubChem (CID 11658493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).