chloro-ethoxy-octyl-propoxysilane

C13H29ClO2Si — CID 140744864

IUPACchloro-ethoxy-octyl-propoxysilane
SMILESCCCCCCCC[Si](Cl)(OCC)OCCC
InChIInChI=1S/C13H29ClO2Si/c1-4-7-8-9-10-11-13-17(14,15-6-3)16-12-5-2/h4-13H2,1-3H3
InChIKeyQBPBTYZURPRANS-UHFFFAOYSA-N
MW280.91 g/mol
LogP4.99
Rot. Bonds12

About chloro-ethoxy-octyl-propoxysilane

chloro-ethoxy-octyl-propoxysilane (PubChem CID 140744864) has the molecular formula C13H29ClO2Si and a molecular weight of 280.91 g/mol. Its IUPAC name is chloro-ethoxy-octyl-propoxysilane.

Molecular Properties

Compound Namechloro-ethoxy-octyl-propoxysilane
PubChem CID140744864
Molecular FormulaC13H29ClO2Si
Molecular Weight280.91 g/mol
Exact Mass280.16
IUPAC Namechloro-ethoxy-octyl-propoxysilane
SMILESCCCCCCCC[Si](Cl)(OCC)OCCC
InChIInChI=1S/C13H29ClO2Si/c1-4-7-8-9-10-11-13-17(14,15-6-3)16-12-5-2/h4-13H2,1-3H3
InChIKeyQBPBTYZURPRANS-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.91
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-ethoxy-propoxysilane
CID 140745078
chloro-dodecyl-dioctoxysilane
CID 154096058
chloro-ethoxy-hexyl-methoxysilane
CID 140745098
bromo-chloro-octyl-propoxysilane
CID 140744954
butyl-chloro-ethoxy-hexylsilane
CID 140745137
hexadecyl(tripropoxy)silane
CID 22228651
trihexadecyl(propoxy)silane
CID 172579393
icosyl(tripropoxy)silane
CID 141079291
decyl-methyl-dipropoxysilane
CID 22228658
hexadecyl-methyl-dipropoxysilane
CID 22228671
diethoxy-heptadecyl-pentadecylsilane
CID 139614360
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301

Frequently Asked Questions

What is the IUPAC name of chloro-ethoxy-octyl-propoxysilane?
The IUPAC name of chloro-ethoxy-octyl-propoxysilane (CID 140744864) is chloro-ethoxy-octyl-propoxysilane.
What is the SMILES notation for chloro-ethoxy-octyl-propoxysilane?
The canonical SMILES for chloro-ethoxy-octyl-propoxysilane is CCCCCCCC[Si](Cl)(OCC)OCCC.
What is the InChIKey of chloro-ethoxy-octyl-propoxysilane?
The InChIKey is QBPBTYZURPRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29ClO2Si/c1-4-7-8-9-10-11-13-17(14,15-6-3)16-12-5-2/h4-13H2,1-3H3.
What are the key properties of chloro-ethoxy-octyl-propoxysilane?
chloro-ethoxy-octyl-propoxysilane has a molecular weight of 280.91 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-octyl-propoxysilane is sourced from PubChem (CID 140744864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).