(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal

C10H22O2Si — CID 10241965

IUPAC(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
SMILESCC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7,9H,8H2,1-6H3
InChIKeyOGQRYCJBALFGOQ-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.84
Rot. Bonds4

About (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal (PubChem CID 10241965) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
PubChem CID10241965
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal
SMILESCC(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7,9H,8H2,1-6H3
InChIKeyOGQRYCJBALFGOQ-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The IUPAC name of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal (CID 10241965) is (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal.
What is the SMILES notation for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The canonical SMILES for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal is CC(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
The InChIKey is OGQRYCJBALFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7,9H,8H2,1-6H3.
What are the key properties of (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal?
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal has a molecular weight of 202.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal is sourced from PubChem (CID 10241965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).