tributoxy(4-chlorobutyl)silane

C16H35ClO3Si — CID 141455005

IUPACtributoxy(4-chlorobutyl)silane
SMILESCCCCO[Si](CCCCCl)(OCCCC)OCCCC
InChIInChI=1S/C16H35ClO3Si/c1-4-7-13-18-21(16-11-10-12-17,19-14-8-5-2)20-15-9-6-3/h4-16H2,1-3H3
InChIKeyNUVBDVZJUYBIRN-UHFFFAOYSA-N
MW338.99 g/mol
LogP5.39
Rot. Bonds16

About tributoxy(4-chlorobutyl)silane

tributoxy(4-chlorobutyl)silane (PubChem CID 141455005) has the molecular formula C16H35ClO3Si and a molecular weight of 338.99 g/mol. Its IUPAC name is tributoxy(4-chlorobutyl)silane.

Molecular Properties

Compound Nametributoxy(4-chlorobutyl)silane
PubChem CID141455005
Molecular FormulaC16H35ClO3Si
Molecular Weight338.99 g/mol
Exact Mass338.20
IUPAC Nametributoxy(4-chlorobutyl)silane
SMILESCCCCO[Si](CCCCCl)(OCCCC)OCCCC
InChIInChI=1S/C16H35ClO3Si/c1-4-7-13-18-21(16-11-10-12-17,19-14-8-5-2)20-15-9-6-3/h4-16H2,1-3H3
InChIKeyNUVBDVZJUYBIRN-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.99
LogP ≤ 55.39
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'}

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Related Compounds

28-chlorooctacosyl(triethoxy)silane
CID 87685970
tributoxy(3-iodopropyl)silane
CID 141455003
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
icosyl(tripropoxy)silane
CID 141079291
hexadecyl(tripropoxy)silane
CID 22228651
N-methyl-3-tributoxysilylpropan-1-amine
CID 87391631
butoxy-butyl-dimethoxysilane
CID 139714527
6-tripentoxysilylhexan-1-amine
CID 152508476
butoxy-(3-chloropropyl)-diethylsilane
CID 140743875
tributoxy(pent-4-enyl)silane
CID 87220706
3-trihexadecoxysilylpropan-1-amine
CID 87405617
28-chlorooctacosyl(trimethoxy)silane
CID 87680981

Frequently Asked Questions

What is the IUPAC name of tributoxy(4-chlorobutyl)silane?
The IUPAC name of tributoxy(4-chlorobutyl)silane (CID 141455005) is tributoxy(4-chlorobutyl)silane.
What is the SMILES notation for tributoxy(4-chlorobutyl)silane?
The canonical SMILES for tributoxy(4-chlorobutyl)silane is CCCCO[Si](CCCCCl)(OCCCC)OCCCC.
What is the InChIKey of tributoxy(4-chlorobutyl)silane?
The InChIKey is NUVBDVZJUYBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35ClO3Si/c1-4-7-13-18-21(16-11-10-12-17,19-14-8-5-2)20-15-9-6-3/h4-16H2,1-3H3.
What are the key properties of tributoxy(4-chlorobutyl)silane?
tributoxy(4-chlorobutyl)silane has a molecular weight of 338.99 g/mol, XLogP of 5.39, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy(4-chlorobutyl)silane is sourced from PubChem (CID 141455005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).