(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane

C20H25BrSi — CID 86231004

IUPAC(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)C(Br)CCc1ccccc1
InChIInChI=1S/C20H25BrSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-13,20H,1,14-16H2,2-3H3
InChIKeyMZPJGRSNYWHEAK-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.55
Rot. Bonds7

About (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane

(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane (PubChem CID 86231004) has the molecular formula C20H25BrSi and a molecular weight of 373.41 g/mol. Its IUPAC name is (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane.

Molecular Properties

Compound Name(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane
PubChem CID86231004
Molecular FormulaC20H25BrSi
Molecular Weight373.41 g/mol
Exact Mass372.09
IUPAC Name(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane
SMILESC=C(C[Si](C)(C)c1ccccc1)C(Br)CCc1ccccc1
InChIInChI=1S/C20H25BrSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-13,20H,1,14-16H2,2-3H3
InChIKeyMZPJGRSNYWHEAK-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
CID 101273387
3-[3-[dimethyl(phenyl)silyl]prop-1-en-2-yl]hexanal
CID 11254347
2-iodoprop-2-enyl-dimethyl-phenylsilane
CID 14028568
dimethyl-[2-methylidene-4-(3-methyloxiran-2-yl)-3-phenylbutyl]-phenylsilane
CID 102172890
acetyl 2-bromo-4-phenylbutanoate
CID 174462717
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002
4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol
CID 12987153
(3-bromo-5-phenylpent-1-ynyl)-trimethylsilane
CID 166637296
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
(3S)-5-[[tert-butyl(dimethyl)silyl]methyl]-1-phenylhex-5-en-3-ol
CID 11197489
ethene;3-methylbutylbenzene
CID 145421013
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane?
The IUPAC name of (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane (CID 86231004) is (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane.
What is the SMILES notation for (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane?
The canonical SMILES for (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane is C=C(C[Si](C)(C)c1ccccc1)C(Br)CCc1ccccc1.
What is the InChIKey of (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane?
The InChIKey is MZPJGRSNYWHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrSi/c1-17(16-22(2,3)19-12-8-5-9-13-19)20(21)15-14-18-10-6-4-7-11-18/h4-13,20H,1,14-16H2,2-3H3.
What are the key properties of (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane?
(3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane has a molecular weight of 373.41 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylidene-5-phenylpentyl)-dimethyl-phenylsilane is sourced from PubChem (CID 86231004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).