4-bromobutyl-tris[(Z)-dec-4-enoxy]silane

C34H65BrO3Si — CID 156830018

IUPAC4-bromobutyl-tris[(Z)-dec-4-enoxy]silane
SMILESCCCCC/C=C\CCCO[Si](CCCCBr)(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC
InChIInChI=1S/C34H65BrO3Si/c1-4-7-10-13-16-19-22-26-31-36-39(34-29-25-30-35,37-32-27-23-20-17-14-11-8-5-2)38-33-28-24-21-18-15-12-9-6-3/h16-21H,4-15,22-34H2,1-3H3/b19-16-,20-17-,21-18-
InChIKeySVQJMKXEGSCAQH-JFJOQQEJSA-N
MW629.88 g/mol
LogP11.90
Rot. Bonds31

About 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane

4-bromobutyl-tris[(Z)-dec-4-enoxy]silane (PubChem CID 156830018) has the molecular formula C34H65BrO3Si and a molecular weight of 629.88 g/mol. Its IUPAC name is 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane.

Molecular Properties

Compound Name4-bromobutyl-tris[(Z)-dec-4-enoxy]silane
PubChem CID156830018
Molecular FormulaC34H65BrO3Si
Molecular Weight629.88 g/mol
Exact Mass628.39
IUPAC Name4-bromobutyl-tris[(Z)-dec-4-enoxy]silane
SMILESCCCCC/C=C\CCCO[Si](CCCCBr)(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC
InChIInChI=1S/C34H65BrO3Si/c1-4-7-10-13-16-19-22-26-31-36-39(34-29-25-30-35,37-32-27-23-20-17-14-11-8-5-2)38-33-28-24-21-18-15-12-9-6-3/h16-21H,4-15,22-34H2,1-3H3/b19-16-,20-17-,21-18-
InChIKeySVQJMKXEGSCAQH-JFJOQQEJSA-N
XLogP11.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.88
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-tris[(Z)-dec-4-enoxy]silylpropan-1-amine
CID 164755016
(E)-1-bromoundec-5-ene
CID 13044969
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
2-bromoethoxy-dimethoxy-pentylsilane
CID 142614027
18-bromooctadecyl(triethoxy)silane
CID 87686820
(5Z,8Z)-1-bromotetradeca-5,8-diene
CID 11482688
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975
(6Z,9Z)-1-bromopentadeca-6,9-diene
CID 135359087
icosyl(tripropoxy)silane
CID 141079291

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane?
The IUPAC name of 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane (CID 156830018) is 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane.
What is the SMILES notation for 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane?
The canonical SMILES for 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane is CCCCC/C=C\CCCO[Si](CCCCBr)(OCCC/C=C\CCCCC)OCCC/C=C\CCCCC.
What is the InChIKey of 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane?
The InChIKey is SVQJMKXEGSCAQH-JFJOQQEJSA-N. The full InChI is InChI=1S/C34H65BrO3Si/c1-4-7-10-13-16-19-22-26-31-36-39(34-29-25-30-35,37-32-27-23-20-17-14-11-8-5-2)38-33-28-24-21-18-15-12-9-6-3/h16-21H,4-15,22-34H2,1-3H3/b19-16-,20-17-,21-18-.
What are the key properties of 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane?
4-bromobutyl-tris[(Z)-dec-4-enoxy]silane has a molecular weight of 629.88 g/mol, XLogP of 11.90, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-tris[(Z)-dec-4-enoxy]silane is sourced from PubChem (CID 156830018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).