(2S)-2-[tert-butyl(dimethyl)silyl]octanal

C14H30OSi — CID 135049478

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]octanal
SMILESCCCCCC[C@@H](C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyBZRYFXQYQKADBL-ZDUSSCGKSA-N
MW242.48 g/mol
LogP5.03
Rot. Bonds7

About (2S)-2-[tert-butyl(dimethyl)silyl]octanal

(2S)-2-[tert-butyl(dimethyl)silyl]octanal (PubChem CID 135049478) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]octanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]octanal
PubChem CID135049478
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]octanal
SMILESCCCCCC[C@@H](C=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyBZRYFXQYQKADBL-ZDUSSCGKSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octyl trimethylsilyl ketone
CID 3538356
Undecanoyl-trimethylsilane
CID 13601208
Octanal, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11108030
1-Trimethylsilyldecan-1-one
CID 11790984
11-Trimethoxysilylundecanal
CID 45158950
1-[Tert-butyl(dimethyl)silyl]nonan-1-one
CID 3697443
1-[Tert-butyl(dimethyl)silyl]octan-1-one
CID 10728899
2-Trimethylsilylheptanal
CID 10867073
Silane, trimethyl(1-oxooctyl)-
CID 11117077
2-[Tert-butyl(dimethyl)silyl]octanal
CID 11831616
2-[Tert-butyl(dimethyl)silyl]heptanal
CID 14527632
2-[Tert-butyl(dimethyl)silyl]-1-deuteriooctan-1-one
CID 101708371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]octanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]octanal (CID 135049478) is (2S)-2-[tert-butyl(dimethyl)silyl]octanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]octanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]octanal is CCCCCC[C@@H](C=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]octanal?
The InChIKey is BZRYFXQYQKADBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30OSi/c1-7-8-9-10-11-13(12-15)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t13-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]octanal?
(2S)-2-[tert-butyl(dimethyl)silyl]octanal has a molecular weight of 242.48 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]octanal is sourced from PubChem (CID 135049478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).