tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane

C23H31NO2Si — CID 22132399

IUPACtert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane
SMILESCC(OCc1ccccc1)C(C#Cc1cccnc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-19(25-18-21-11-8-7-9-12-21)22(26-27(5,6)23(2,3)4)15-14-20-13-10-16-24-17-20/h7-13,16-17,19,22H,18H2,1-6H3
InChIKeyZREOOTQMNMVJGD-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.43
Rot. Bonds6

About tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane

tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane (PubChem CID 22132399) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane
PubChem CID22132399
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Nametert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane
SMILESCC(OCc1ccccc1)C(C#Cc1cccnc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-19(25-18-21-11-8-7-9-12-21)22(26-27(5,6)23(2,3)4)15-14-20-13-10-16-24-17-20/h7-13,16-17,19,22H,18H2,1-6H3
InChIKeyZREOOTQMNMVJGD-UHFFFAOYSA-N
XLogP5.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
(2S,3S,7S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-bis(phenylmethoxy)undec-5-yn-4-one
CID 71479466
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxyundec-10-en-6-yn-5-ol
CID 134841088
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(Z,2R,3R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53388286

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane (CID 22132399) is tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane is CC(OCc1ccccc1)C(C#Cc1cccnc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane?
The InChIKey is ZREOOTQMNMVJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-19(25-18-21-11-8-7-9-12-21)22(26-27(5,6)23(2,3)4)15-14-20-13-10-16-24-17-20/h7-13,16-17,19,22H,18H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane?
tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane has a molecular weight of 381.59 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-phenylmethoxy-1-pyridin-3-ylpent-1-yn-3-yl)oxysilane is sourced from PubChem (CID 22132399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).