3-bromopropyl(3-phenylprop-1-enyl)silane

C12H17BrSi — CID 151081958

IUPAC3-bromopropyl(3-phenylprop-1-enyl)silane
SMILESBrCCC[SiH2]C=CCc1ccccc1
InChIInChI=1S/C12H17BrSi/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-7,10H,5,8-9,11,14H2
InChIKeyMKHUOCIACOMBJS-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds6

About 3-bromopropyl(3-phenylprop-1-enyl)silane

3-bromopropyl(3-phenylprop-1-enyl)silane (PubChem CID 151081958) has the molecular formula C12H17BrSi and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-bromopropyl(3-phenylprop-1-enyl)silane.

Molecular Properties

Compound Name3-bromopropyl(3-phenylprop-1-enyl)silane
PubChem CID151081958
Molecular FormulaC12H17BrSi
Molecular Weight269.26 g/mol
Exact Mass268.03
IUPAC Name3-bromopropyl(3-phenylprop-1-enyl)silane
SMILESBrCCC[SiH2]C=CCc1ccccc1
InChIInChI=1S/C12H17BrSi/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-7,10H,5,8-9,11,14H2
InChIKeyMKHUOCIACOMBJS-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromopropyl(3-phenylprop-1-enyl)silane?
The IUPAC name of 3-bromopropyl(3-phenylprop-1-enyl)silane (CID 151081958) is 3-bromopropyl(3-phenylprop-1-enyl)silane.
What is the SMILES notation for 3-bromopropyl(3-phenylprop-1-enyl)silane?
The canonical SMILES for 3-bromopropyl(3-phenylprop-1-enyl)silane is BrCCC[SiH2]C=CCc1ccccc1.
What is the InChIKey of 3-bromopropyl(3-phenylprop-1-enyl)silane?
The InChIKey is MKHUOCIACOMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrSi/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-7,10H,5,8-9,11,14H2.
What are the key properties of 3-bromopropyl(3-phenylprop-1-enyl)silane?
3-bromopropyl(3-phenylprop-1-enyl)silane has a molecular weight of 269.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropyl(3-phenylprop-1-enyl)silane is sourced from PubChem (CID 151081958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).