3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane

C26H34Si — CID 102235449

IUPAC3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34Si/c1-20(2)27(21(3)4,22(5)6)19-18-23(7)26(24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,20-22,26H,7H2,1-6H3
InChIKeyUFXGMAITXPKCOZ-UHFFFAOYSA-N
MW374.64 g/mol
LogP7.60
Rot. Bonds6

About 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane

3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane (PubChem CID 102235449) has the molecular formula C26H34Si and a molecular weight of 374.64 g/mol. Its IUPAC name is 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
PubChem CID102235449
Molecular FormulaC26H34Si
Molecular Weight374.64 g/mol
Exact Mass374.24
IUPAC Name3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34Si/c1-20(2)27(21(3)4,22(5)6)19-18-23(7)26(24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,20-22,26H,7H2,1-6H3
InChIKeyUFXGMAITXPKCOZ-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
[4-(3-methoxyphenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
CID 102235445
[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
CID 102235448
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
[(E)-4-phenyl-1-tri(propan-2-yl)silylhex-4-en-1-yn-3-yl] 2,2-diphenylacetate
CID 102346407
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
4-[12-(4-aminophenyl)-6,9-diphenyl-1,14-bis[tri(propan-2-yl)silyl]tetradeca-3,4,5,9,10,11-hexaen-1,7,13-triyn-3-yl]aniline
CID 102335535
(3R)-3-phenylbut-1-en-2-ol
CID 89028601
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
CID 11738820
(3-morpholin-4-yl-3-phenylprop-1-ynyl)-tri(propan-2-yl)silane
CID 11325787

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane (CID 102235449) is 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is UFXGMAITXPKCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si/c1-20(2)27(21(3)4,22(5)6)19-18-23(7)26(24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,20-22,26H,7H2,1-6H3.
What are the key properties of 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane?
3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 374.64 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102235449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).