tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane

C27H40OSi — CID 11988597

IUPACtert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
SMILESC=CCCCCCCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40OSi/c1-6-7-8-9-10-11-14-19-24(2)28-29(27(3,4)5,25-20-15-12-16-21-25)26-22-17-13-18-23-26/h6,12-13,15-18,20-24H,1,7-11,14,19H2,2-5H3/t24-/m0/s1
InChIKeyIRAZAHVQMOCISW-DEOSSOPVSA-N
MW408.70 g/mol
LogP6.87
Rot. Bonds12

About tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane

tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane (PubChem CID 11988597) has the molecular formula C27H40OSi and a molecular weight of 408.70 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
PubChem CID11988597
Molecular FormulaC27H40OSi
Molecular Weight408.70 g/mol
Exact Mass408.28
IUPAC Nametert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
SMILESC=CCCCCCCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40OSi/c1-6-7-8-9-10-11-14-19-24(2)28-29(27(3,4)5,25-20-15-12-16-21-25)26-22-17-13-18-23-26/h6,12-13,15-18,20-24H,1,7-11,14,19H2,2-5H3/t24-/m0/s1
InChIKeyIRAZAHVQMOCISW-DEOSSOPVSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
triethyl-[oct-7-en-2-yloxy(diphenyl)silyl]oxysilane
CID 122396412
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane (CID 11988597) is tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane is C=CCCCCCCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane?
The InChIKey is IRAZAHVQMOCISW-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H40OSi/c1-6-7-8-9-10-11-14-19-24(2)28-29(27(3,4)5,25-20-15-12-16-21-25)26-22-17-13-18-23-26/h6,12-13,15-18,20-24H,1,7-11,14,19H2,2-5H3/t24-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane?
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane has a molecular weight of 408.70 g/mol, XLogP of 6.87, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane is sourced from PubChem (CID 11988597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).