(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal

C10H22O2Si — CID 10867393

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal
SMILESC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m0/s1
InChIKeyAFIKGLAMEXCVAN-VIFPVBQESA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds4

About (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal (PubChem CID 10867393) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal
PubChem CID10867393
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal
SMILESC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m0/s1
InChIKeyAFIKGLAMEXCVAN-VIFPVBQESA-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 ≤ 500202.37
LogP ≤ 52.99
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 (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal (CID 10867393) is (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal is C[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal?
The InChIKey is AFIKGLAMEXCVAN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal has a molecular weight of 202.37 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 (3S)-3-[tert-butyl(dimethyl)silyl]oxybutanal is sourced from PubChem (CID 10867393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).