[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane

C12H17BrSi — CID 134858271

IUPAC[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrSi/c1-14(2,3)9-5-7-11-6-4-8-12(13)10-11/h4-6,8-10H,7H2,1-3H3/b9-5+
InChIKeyAQAPLIXBXZXPGJ-WEVVVXLNSA-N
MW269.26 g/mol
LogP4.43
Rot. Bonds3

About [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane

[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane (PubChem CID 134858271) has the molecular formula C12H17BrSi and a molecular weight of 269.26 g/mol. Its IUPAC name is [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane
PubChem CID134858271
Molecular FormulaC12H17BrSi
Molecular Weight269.26 g/mol
Exact Mass268.03
IUPAC Name[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrSi/c1-14(2,3)9-5-7-11-6-4-8-12(13)10-11/h4-6,8-10H,7H2,1-3H3/b9-5+
InChIKeyAQAPLIXBXZXPGJ-WEVVVXLNSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Bromotoluene
CID 11560
1-Bromo-4-ethylbenzene
CID 15313
Benzene, 2-bromo-1,4-dimethyl-
CID 11121
1-Bromo-3-isopropylbenzene
CID 138499
1-Bromo-3-tert-butylbenzene
CID 343798
4-Bromo-o-xylene
CID 68504
1-Bromo-2-ethylbenzene
CID 16089
3-Bromostyrene
CID 74870
Benzene, 1-bromo-3-ethyl-
CID 123170
Benzene, 1-bromo-3,5-dimethyl-
CID 136357
1-Bromo-4-propylbenzene
CID 136374
1-Bromo-4-butylbenzene
CID 521059

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane (CID 134858271) is [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane is C[Si](C)(C)/C=C/Cc1cccc(Br)c1.
What is the InChIKey of [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane?
The InChIKey is AQAPLIXBXZXPGJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H17BrSi/c1-14(2,3)9-5-7-11-6-4-8-12(13)10-11/h4-6,8-10H,7H2,1-3H3/b9-5+.
What are the key properties of [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane?
[(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane has a molecular weight of 269.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3-bromophenyl)prop-1-enyl]-trimethylsilane is sourced from PubChem (CID 134858271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).