2-[[tert-butyl(diphenyl)silyl]methyl]hexanal

C23H32OSi — CID 14227109

IUPAC2-[[tert-butyl(diphenyl)silyl]methyl]hexanal
SMILESCCCCC(C=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OSi/c1-5-6-13-20(18-24)19-25(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-18,20H,5-6,13,19H2,1-4H3
InChIKeySKKJTVSRYADUTC-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.05
Rot. Bonds8

About 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal

2-[[tert-butyl(diphenyl)silyl]methyl]hexanal (PubChem CID 14227109) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]methyl]hexanal
PubChem CID14227109
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Name2-[[tert-butyl(diphenyl)silyl]methyl]hexanal
SMILESCCCCC(C=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32OSi/c1-5-6-13-20(18-24)19-25(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-18,20H,5-6,13,19H2,1-4H3
InChIKeySKKJTVSRYADUTC-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal
CID 14843640
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
2,2-dimethyl-3-phenylheptanal
CID 174996144
3-phenylheptanal
CID 10954355
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;phosphane
CID 174518467
(E)-1-[tert-butyl(diphenyl)silyl]oct-1-en-3-ol
CID 101387251
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
2-(sulfanylmethyl)hexanal
CID 527437
tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
CID 12045291

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal (CID 14227109) is 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal is CCCCC(C=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal?
The InChIKey is SKKJTVSRYADUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi/c1-5-6-13-20(18-24)19-25(23(2,3)4,21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-18,20H,5-6,13,19H2,1-4H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal?
2-[[tert-butyl(diphenyl)silyl]methyl]hexanal has a molecular weight of 352.59 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]methyl]hexanal is sourced from PubChem (CID 14227109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).