benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane

C28H36Si2 — CID 11212531

IUPACbenzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane
SMILESC/C=C/C(C[Si](C)(C)c1ccccc1)[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36Si2/c1-6-16-27(23-29(2,3)26-21-14-9-15-22-26)30(4,5)28(24-17-10-7-11-18-24)25-19-12-8-13-20-25/h6-22,27-28H,23H2,1-5H3/b16-6+
InChIKeySMTXZANFSCIRTO-OMCISZLKSA-N
MW428.77 g/mol
LogP7.63
Rot. Bonds8

About benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane

benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane (PubChem CID 11212531) has the molecular formula C28H36Si2 and a molecular weight of 428.77 g/mol. Its IUPAC name is benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane.

Molecular Properties

Compound Namebenzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane
PubChem CID11212531
Molecular FormulaC28H36Si2
Molecular Weight428.77 g/mol
Exact Mass428.24
IUPAC Namebenzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane
SMILESC/C=C/C(C[Si](C)(C)c1ccccc1)[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36Si2/c1-6-16-27(23-29(2,3)26-21-14-9-15-22-26)30(4,5)28(24-17-10-7-11-18-24)25-19-12-8-13-20-25/h6-22,27-28H,23H2,1-5H3/b16-6+
InChIKeySMTXZANFSCIRTO-OMCISZLKSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(Z)-6-methylhept-2-en-4-yl]-phenylsilane
CID 15353782
[(E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enyl] 2-hydroxy-2-phenylacetate
CID 10361701
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
CID 11058768
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
(E)-2-phenylpent-3-en-1-amine
CID 131236812
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
CID 101008842
CID 101008842
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
dimethyl-[(Z,3S)-2-methylhex-4-en-3-yl]-phenylsilane
CID 52921003
2,2-dicyclopropylethyl-dimethyl-phenylsilane
CID 11806894

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane?
The IUPAC name of benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane (CID 11212531) is benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane.
What is the SMILES notation for benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane?
The canonical SMILES for benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane is C/C=C/C(C[Si](C)(C)c1ccccc1)[Si](C)(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane?
The InChIKey is SMTXZANFSCIRTO-OMCISZLKSA-N. The full InChI is InChI=1S/C28H36Si2/c1-6-16-27(23-29(2,3)26-21-14-9-15-22-26)30(4,5)28(24-17-10-7-11-18-24)25-19-12-8-13-20-25/h6-22,27-28H,23H2,1-5H3/b16-6+.
What are the key properties of benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane?
benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane has a molecular weight of 428.77 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(E)-1-[dimethyl(phenyl)silyl]pent-3-en-2-yl]-dimethylsilane is sourced from PubChem (CID 11212531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).