tributoxy(3-chlorooctyl)silane

C20H43ClO3Si — CID 87204005

IUPACtributoxy(3-chlorooctyl)silane
SMILESCCCCCC(Cl)CC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C20H43ClO3Si/c1-5-9-13-14-20(21)15-19-25(22-16-10-6-2,23-17-11-7-3)24-18-12-8-4/h20H,5-19H2,1-4H3
InChIKeyVCXPCZBQULPTAB-UHFFFAOYSA-N
MW395.10 g/mol
LogP6.95
Rot. Bonds19

About tributoxy(3-chlorooctyl)silane

tributoxy(3-chlorooctyl)silane (PubChem CID 87204005) has the molecular formula C20H43ClO3Si and a molecular weight of 395.10 g/mol. Its IUPAC name is tributoxy(3-chlorooctyl)silane.

Molecular Properties

Compound Nametributoxy(3-chlorooctyl)silane
PubChem CID87204005
Molecular FormulaC20H43ClO3Si
Molecular Weight395.10 g/mol
Exact Mass394.27
IUPAC Nametributoxy(3-chlorooctyl)silane
SMILESCCCCCC(Cl)CC[Si](OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C20H43ClO3Si/c1-5-9-13-14-20(21)15-19-25(22-16-10-6-2,23-17-11-7-3)24-18-12-8-4/h20H,5-19H2,1-4H3
InChIKeyVCXPCZBQULPTAB-UHFFFAOYSA-N
XLogP6.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.10
LogP ≤ 56.95
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

4-chlorohenicosyl(trimethoxy)silane
CID 141333665
17-chlorotritriacontane
CID 87852962
4-tridodecoxysilylbutane-2-thiol
CID 22227191
tributoxy(4-chlorobutyl)silane
CID 141455005
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
tributoxy(3-iodopropyl)silane
CID 141455003
isocyanic acid;tributoxy(pentyl)silane
CID 172778190
1-[bis[2-(dimethylamino)ethoxy]-octadecoxysilyl]decane-3-thiol
CID 158997670

Frequently Asked Questions

What is the IUPAC name of tributoxy(3-chlorooctyl)silane?
The IUPAC name of tributoxy(3-chlorooctyl)silane (CID 87204005) is tributoxy(3-chlorooctyl)silane.
What is the SMILES notation for tributoxy(3-chlorooctyl)silane?
The canonical SMILES for tributoxy(3-chlorooctyl)silane is CCCCCC(Cl)CC[Si](OCCCC)(OCCCC)OCCCC.
What is the InChIKey of tributoxy(3-chlorooctyl)silane?
The InChIKey is VCXPCZBQULPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43ClO3Si/c1-5-9-13-14-20(21)15-19-25(22-16-10-6-2,23-17-11-7-3)24-18-12-8-4/h20H,5-19H2,1-4H3.
What are the key properties of tributoxy(3-chlorooctyl)silane?
tributoxy(3-chlorooctyl)silane has a molecular weight of 395.10 g/mol, XLogP of 6.95, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy(3-chlorooctyl)silane is sourced from PubChem (CID 87204005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).