4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane

C17H27BrOSi — CID 22867208

IUPAC4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrOSi/c1-19-11-2-12-20-13-9-16(10-14-20)4-3-15-5-7-17(18)8-6-15/h5-8,16,20H,2-4,9-14H2,1H3
InChIKeyOPBCMRDBNQQFNV-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.06
Rot. Bonds7

About 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane

4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane (PubChem CID 22867208) has the molecular formula C17H27BrOSi and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane
PubChem CID22867208
Molecular FormulaC17H27BrOSi
Molecular Weight355.39 g/mol
Exact Mass354.10
IUPAC Name4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane
SMILESCOCCC[SiH]1CCC(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrOSi/c1-19-11-2-12-20-13-9-16(10-14-20)4-3-15-5-7-17(18)8-6-15/h5-8,16,20H,2-4,9-14H2,1H3
InChIKeyOPBCMRDBNQQFNV-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane?
The IUPAC name of 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane (CID 22867208) is 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane.
What is the SMILES notation for 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane?
The canonical SMILES for 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane is COCCC[SiH]1CCC(CCc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane?
The InChIKey is OPBCMRDBNQQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrOSi/c1-19-11-2-12-20-13-9-16(10-14-20)4-3-15-5-7-17(18)8-6-15/h5-8,16,20H,2-4,9-14H2,1H3.
What are the key properties of 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane?
4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane has a molecular weight of 355.39 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)ethyl]-1-(3-methoxypropyl)silinane is sourced from PubChem (CID 22867208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).