1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane

C12H27ClO2Si — CID 171486067

IUPAC1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane
SMILESCCCO[Si](CC)(CC(C)C)OC(Cl)CC
InChIInChI=1S/C12H27ClO2Si/c1-6-9-14-16(8-3,10-11(4)5)15-12(13)7-2/h11-12H,6-10H2,1-5H3
InChIKeyWSAPTSIEDCEGOI-UHFFFAOYSA-N
MW266.88 g/mol
LogP4.52
Rot. Bonds9

About 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane

1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane (PubChem CID 171486067) has the molecular formula C12H27ClO2Si and a molecular weight of 266.88 g/mol. Its IUPAC name is 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane.

Molecular Properties

Compound Name1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane
PubChem CID171486067
Molecular FormulaC12H27ClO2Si
Molecular Weight266.88 g/mol
Exact Mass266.15
IUPAC Name1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane
SMILESCCCO[Si](CC)(CC(C)C)OC(Cl)CC
InChIInChI=1S/C12H27ClO2Si/c1-6-9-14-16(8-3,10-11(4)5)15-12(13)7-2/h11-12H,6-10H2,1-5H3
InChIKeyWSAPTSIEDCEGOI-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.88
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dibutoxy-ethyl-(2-methylpropyl)silane
CID 87899678
ethyl-[[ethyl(dipropoxy)silyl]methyl]-dipropoxysilane
CID 87143890
4-chlorobutyl-ethyl-dipropoxysilane
CID 142729339
1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane
CID 174674593
diethyl-(4-methylpentoxy)-pentan-2-yloxysilane
CID 91738212
ethyl-hexadecyl-dipropoxysilane
CID 22228686
dichloromethyl-dimethyl-propoxysilane
CID 554638
diethyl-(2-methylpentan-3-yloxy)-octadecoxysilane
CID 91745188
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192
diethyl-heptadecoxy-(2-methylpentan-3-yloxy)silane
CID 91745000
diethyl-hexadecoxy-(2-methylpropoxy)silane
CID 91744158
diethyl-(3-methylbutoxy)-pentadecoxysilane
CID 91744142

Frequently Asked Questions

What is the IUPAC name of 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane?
The IUPAC name of 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane (CID 171486067) is 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane.
What is the SMILES notation for 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane?
The canonical SMILES for 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane is CCCO[Si](CC)(CC(C)C)OC(Cl)CC.
What is the InChIKey of 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane?
The InChIKey is WSAPTSIEDCEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO2Si/c1-6-9-14-16(8-3,10-11(4)5)15-12(13)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane?
1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane has a molecular weight of 266.88 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropoxy-ethyl-(2-methylpropyl)-propoxysilane is sourced from PubChem (CID 171486067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).