(3-chloro-1,1-diethoxypropyl)silane

C7H17ClO2Si — CID 3016261

IUPAC(3-chloro-1,1-diethoxypropyl)silane
SMILESCCOC([SiH3])(CCCl)OCC
InChIInChI=1S/C7H17ClO2Si/c1-3-9-7(11,5-6-8)10-4-2/h3-6H2,1-2,11H3
InChIKeyCOEQNQDDIFYCAV-UHFFFAOYSA-N
MW196.75 g/mol
LogP0.71
Rot. Bonds6

About (3-chloro-1,1-diethoxypropyl)silane

(3-chloro-1,1-diethoxypropyl)silane (PubChem CID 3016261) has the molecular formula C7H17ClO2Si and a molecular weight of 196.75 g/mol. Its IUPAC name is (3-chloro-1,1-diethoxypropyl)silane.

Molecular Properties

Compound Name(3-chloro-1,1-diethoxypropyl)silane
PubChem CID3016261
Molecular FormulaC7H17ClO2Si
Molecular Weight196.75 g/mol
Exact Mass196.07
IUPAC Name(3-chloro-1,1-diethoxypropyl)silane
SMILESCCOC([SiH3])(CCCl)OCC
InChIInChI=1S/C7H17ClO2Si/c1-3-9-7(11,5-6-8)10-4-2/h3-6H2,1-2,11H3
InChIKeyCOEQNQDDIFYCAV-UHFFFAOYSA-N
XLogP0.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 50.71
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1,1-diethoxypropyl)silane?
The IUPAC name of (3-chloro-1,1-diethoxypropyl)silane (CID 3016261) is (3-chloro-1,1-diethoxypropyl)silane.
What is the SMILES notation for (3-chloro-1,1-diethoxypropyl)silane?
The canonical SMILES for (3-chloro-1,1-diethoxypropyl)silane is CCOC([SiH3])(CCCl)OCC.
What is the InChIKey of (3-chloro-1,1-diethoxypropyl)silane?
The InChIKey is COEQNQDDIFYCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO2Si/c1-3-9-7(11,5-6-8)10-4-2/h3-6H2,1-2,11H3.
What are the key properties of (3-chloro-1,1-diethoxypropyl)silane?
(3-chloro-1,1-diethoxypropyl)silane has a molecular weight of 196.75 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1,1-diethoxypropyl)silane is sourced from PubChem (CID 3016261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).