1-chloropropane;diethoxysilane

C7H19ClO2Si — CID 160862579

IUPAC1-chloropropane;diethoxysilane
SMILESCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C4H12O2Si.C3H7Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H2,1-2H3;2-3H2,1H3
InChIKeySKRJRAGMHRVSDK-UHFFFAOYSA-N
MW198.77 g/mol
LogP1.69
Rot. Bonds5

About 1-chloropropane;diethoxysilane

1-chloropropane;diethoxysilane (PubChem CID 160862579) has the molecular formula C7H19ClO2Si and a molecular weight of 198.77 g/mol. Its IUPAC name is 1-chloropropane;diethoxysilane.

Molecular Properties

Compound Name1-chloropropane;diethoxysilane
PubChem CID160862579
Molecular FormulaC7H19ClO2Si
Molecular Weight198.77 g/mol
Exact Mass198.08
IUPAC Name1-chloropropane;diethoxysilane
SMILESCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C4H12O2Si.C3H7Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H2,1-2H3;2-3H2,1H3
InChIKeySKRJRAGMHRVSDK-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.77
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-Chloropropyl-ethoxy-dimethoxysilane
CID 53672225
gamma-Chloromethyl triethoxysilane
CID 87438747
3-(Chloropropyl)trimethoxysilane
CID 129832096
3-Cloropropyltrimethoxysilan
CID 129831727
CID 18402837
CID 18402837
3-Chloropropoxy-ethoxy-dimethylsilane
CID 21975980
3-Chloropropyl trimethyl silicate
CID 87069699
Bis(3-chloropropoxy)-methylsilane
CID 123374857
3-Chloropropyl(dipropoxy)silane
CID 123436656
Tris(2-chloropropoxy)silane
CID 123451578
Bis(1-chloropropoxy)silane
CID 123696543
1-Chloropropoxysilane
CID 123834424

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;diethoxysilane?
The IUPAC name of 1-chloropropane;diethoxysilane (CID 160862579) is 1-chloropropane;diethoxysilane.
What is the SMILES notation for 1-chloropropane;diethoxysilane?
The canonical SMILES for 1-chloropropane;diethoxysilane is CCCCl.CCO[SiH2]OCC.
What is the InChIKey of 1-chloropropane;diethoxysilane?
The InChIKey is SKRJRAGMHRVSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si.C3H7Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4,7H2,1-2H3;2-3H2,1H3.
What are the key properties of 1-chloropropane;diethoxysilane?
1-chloropropane;diethoxysilane has a molecular weight of 198.77 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;diethoxysilane is sourced from PubChem (CID 160862579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).