[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane

C17H28Br2Si — CID 137327717

IUPAC[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane
SMILESCCCCCCC(C)C[SiH2]c1cc(CBr)ccc1CBr
InChIInChI=1S/C17H28Br2Si/c1-3-4-5-6-7-14(2)13-20-17-10-15(11-18)8-9-16(17)12-19/h8-10,14H,3-7,11-13,20H2,1-2H3
InChIKeyLHGNCUOUQAFXOR-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.30
Rot. Bonds10

About [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane

[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane (PubChem CID 137327717) has the molecular formula C17H28Br2Si and a molecular weight of 420.31 g/mol. Its IUPAC name is [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane.

Molecular Properties

Compound Name[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane
PubChem CID137327717
Molecular FormulaC17H28Br2Si
Molecular Weight420.31 g/mol
Exact Mass418.03
IUPAC Name[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane
SMILESCCCCCCC(C)C[SiH2]c1cc(CBr)ccc1CBr
InChIInChI=1S/C17H28Br2Si/c1-3-4-5-6-7-14(2)13-20-17-10-15(11-18)8-9-16(17)12-19/h8-10,14H,3-7,11-13,20H2,1-2H3
InChIKeyLHGNCUOUQAFXOR-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.30
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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Related Compounds

1,4-bis(bromomethyl)-2-(13-methyloctadecoxy)benzene
CID 175140617
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
1,4-bis(bromomethyl)-2-(4-decoxyphenyl)benzene
CID 100942333
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
10,16-dimethyldotriacontane
CID 91748795
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane?
The IUPAC name of [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane (CID 137327717) is [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane.
What is the SMILES notation for [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane?
The canonical SMILES for [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane is CCCCCCC(C)C[SiH2]c1cc(CBr)ccc1CBr.
What is the InChIKey of [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane?
The InChIKey is LHGNCUOUQAFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Br2Si/c1-3-4-5-6-7-14(2)13-20-17-10-15(11-18)8-9-16(17)12-19/h8-10,14H,3-7,11-13,20H2,1-2H3.
What are the key properties of [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane?
[2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane has a molecular weight of 420.31 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(bromomethyl)phenyl]-(2-methyloctyl)silane is sourced from PubChem (CID 137327717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).