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

C13H28O2Si — CID 11253593

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C13H28O2Si/c1-9-11(13(5,6)10-14)15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyHEDOXTIYUBSWAU-NSHDSACASA-N
MW244.45 g/mol
LogP4.01
Rot. Bonds5

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal (PubChem CID 11253593) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal
PubChem CID11253593
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C13H28O2Si/c1-9-11(13(5,6)10-14)15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyHEDOXTIYUBSWAU-NSHDSACASA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.01
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]oxy-2,2-dimethylpentanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal (CID 11253593) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal is CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C=O.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal?
The InChIKey is HEDOXTIYUBSWAU-NSHDSACASA-N. The full InChI is InChI=1S/C13H28O2Si/c1-9-11(13(5,6)10-14)15-16(7,8)12(2,3)4/h10-11H,9H2,1-8H3/t11-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentanal has a molecular weight of 244.45 g/mol, XLogP of 4.01, 5 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]oxy-2,2-dimethylpentanal is sourced from PubChem (CID 11253593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).