(4-bromophenyl)-butoxy-diethylsilane

C14H23BrOSi — CID 140744022

IUPAC(4-bromophenyl)-butoxy-diethylsilane
SMILESCCCCO[Si](CC)(CC)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrOSi/c1-4-7-12-16-17(5-2,6-3)14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3
InChIKeyIMZSCERIOWBBHV-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.46
Rot. Bonds7

About (4-bromophenyl)-butoxy-diethylsilane

(4-bromophenyl)-butoxy-diethylsilane (PubChem CID 140744022) has the molecular formula C14H23BrOSi and a molecular weight of 315.33 g/mol. Its IUPAC name is (4-bromophenyl)-butoxy-diethylsilane.

Molecular Properties

Compound Name(4-bromophenyl)-butoxy-diethylsilane
PubChem CID140744022
Molecular FormulaC14H23BrOSi
Molecular Weight315.33 g/mol
Exact Mass314.07
IUPAC Name(4-bromophenyl)-butoxy-diethylsilane
SMILESCCCCO[Si](CC)(CC)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrOSi/c1-4-7-12-16-17(5-2,6-3)14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3
InChIKeyIMZSCERIOWBBHV-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.46
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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Related Compounds

(4-bromophenyl)-tributylsilane
CID 154208001
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
butoxy-[4-[butoxy(ditert-butyl)silyl]phenyl]-ditert-butylsilane
CID 66774397
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
4-bromo-1,2-dibutoxybenzene
CID 10870333
tributoxy-(4-ethenylphenyl)silane
CID 141272321
dibutyl dipentyl silicate
CID 524713
tributyl pentyl silicate
CID 524737
1,4-dibromo-2-butoxybenzene
CID 69260452
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
1-[2,4-bis(4-bromophenyl)-3-(4-tetradecoxyphenyl)cyclobutyl]-4-tetradecoxybenzene
CID 100947550

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-butoxy-diethylsilane?
The IUPAC name of (4-bromophenyl)-butoxy-diethylsilane (CID 140744022) is (4-bromophenyl)-butoxy-diethylsilane.
What is the SMILES notation for (4-bromophenyl)-butoxy-diethylsilane?
The canonical SMILES for (4-bromophenyl)-butoxy-diethylsilane is CCCCO[Si](CC)(CC)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-butoxy-diethylsilane?
The InChIKey is IMZSCERIOWBBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi/c1-4-7-12-16-17(5-2,6-3)14-10-8-13(15)9-11-14/h8-11H,4-7,12H2,1-3H3.
What are the key properties of (4-bromophenyl)-butoxy-diethylsilane?
(4-bromophenyl)-butoxy-diethylsilane has a molecular weight of 315.33 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-butoxy-diethylsilane is sourced from PubChem (CID 140744022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).