butyl-chloro-ethoxy-hexylsilane

C12H27ClOSi — CID 140745137

IUPACbutyl-chloro-ethoxy-hexylsilane
SMILESCCCCCC[Si](Cl)(CCCC)OCC
InChIInChI=1S/C12H27ClOSi/c1-4-7-9-10-12-15(13,14-6-3)11-8-5-2/h4-12H2,1-3H3
InChIKeyCBXFIGQBIPUNAC-UHFFFAOYSA-N
MW250.89 g/mol
LogP5.08
Rot. Bonds10

About butyl-chloro-ethoxy-hexylsilane

butyl-chloro-ethoxy-hexylsilane (PubChem CID 140745137) has the molecular formula C12H27ClOSi and a molecular weight of 250.89 g/mol. Its IUPAC name is butyl-chloro-ethoxy-hexylsilane.

Molecular Properties

Compound Namebutyl-chloro-ethoxy-hexylsilane
PubChem CID140745137
Molecular FormulaC12H27ClOSi
Molecular Weight250.89 g/mol
Exact Mass250.15
IUPAC Namebutyl-chloro-ethoxy-hexylsilane
SMILESCCCCCC[Si](Cl)(CCCC)OCC
InChIInChI=1S/C12H27ClOSi/c1-4-7-9-10-12-15(13,14-6-3)11-8-5-2/h4-12H2,1-3H3
InChIKeyCBXFIGQBIPUNAC-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.89
LogP ≤ 55.08
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

butyl-diethoxy-tetradecylsilane
CID 139614088
chloro-ethoxy-hexyl-methoxysilane
CID 140745098
decyl-diethoxy-tridecylsilane
CID 139614334
dodecyl(triethoxy)silane;tridecane
CID 174970002
diethoxy-hexadecyl-tridecylsilane
CID 139614117
triethoxy(henicosyl)silane
CID 141362894
diethoxy-icosyl-undecylsilane
CID 139614143
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
chloro-ethoxy-octyl-propoxysilane
CID 140744864
butyl-dichloro-octylsilane
CID 140745133
triethoxy(nonyl)silane;hydrofluoride
CID 161088856

Frequently Asked Questions

What is the IUPAC name of butyl-chloro-ethoxy-hexylsilane?
The IUPAC name of butyl-chloro-ethoxy-hexylsilane (CID 140745137) is butyl-chloro-ethoxy-hexylsilane.
What is the SMILES notation for butyl-chloro-ethoxy-hexylsilane?
The canonical SMILES for butyl-chloro-ethoxy-hexylsilane is CCCCCC[Si](Cl)(CCCC)OCC.
What is the InChIKey of butyl-chloro-ethoxy-hexylsilane?
The InChIKey is CBXFIGQBIPUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClOSi/c1-4-7-9-10-12-15(13,14-6-3)11-8-5-2/h4-12H2,1-3H3.
What are the key properties of butyl-chloro-ethoxy-hexylsilane?
butyl-chloro-ethoxy-hexylsilane has a molecular weight of 250.89 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-ethoxy-hexylsilane is sourced from PubChem (CID 140745137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).