1,3-dichloropropoxysilane

C3H8Cl2OSi — CID 174690802

IUPAC1,3-dichloropropoxysilane
SMILES[SiH3]OC(Cl)CCCl
InChIInChI=1S/C3H8Cl2OSi/c4-2-1-3(5)6-7/h3H,1-2H2,7H3
InChIKeyXCSMFTVGDLKRRD-UHFFFAOYSA-N
MW159.09 g/mol
LogP0.48
Rot. Bonds3

About 1,3-dichloropropoxysilane

1,3-dichloropropoxysilane (PubChem CID 174690802) has the molecular formula C3H8Cl2OSi and a molecular weight of 159.09 g/mol. Its IUPAC name is 1,3-dichloropropoxysilane.

Molecular Properties

Compound Name1,3-dichloropropoxysilane
PubChem CID174690802
Molecular FormulaC3H8Cl2OSi
Molecular Weight159.09 g/mol
Exact Mass157.97
IUPAC Name1,3-dichloropropoxysilane
SMILES[SiH3]OC(Cl)CCCl
InChIInChI=1S/C3H8Cl2OSi/c4-2-1-3(5)6-7/h3H,1-2H2,7H3
InChIKeyXCSMFTVGDLKRRD-UHFFFAOYSA-N
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-Chloropropoxysilane
CID 123181828
1,3-Dichloropropan-2-yloxysilane
CID 123255803
Bis(1-chloropropoxy)silane
CID 123696543
1-Chloropropoxysilane
CID 123834424
3-Chloropropoxyperoxysilane
CID 154174903
1,2,3-Trichloropropoxysilane
CID 173043259
Chloro(3,3-dichloropropoxy)silane
CID 173111181
2,3-Dichloropropoxysilane
CID 174622135
1,2-Dichloropropoxysilane
CID 174635799
3-Chloropropoxysilane;silane
CID 174934483
CID 133668199
CID 133668199

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloropropoxysilane?
The IUPAC name of 1,3-dichloropropoxysilane (CID 174690802) is 1,3-dichloropropoxysilane.
What is the SMILES notation for 1,3-dichloropropoxysilane?
The canonical SMILES for 1,3-dichloropropoxysilane is [SiH3]OC(Cl)CCCl.
What is the InChIKey of 1,3-dichloropropoxysilane?
The InChIKey is XCSMFTVGDLKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2OSi/c4-2-1-3(5)6-7/h3H,1-2H2,7H3.
What are the key properties of 1,3-dichloropropoxysilane?
1,3-dichloropropoxysilane has a molecular weight of 159.09 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropoxysilane is sourced from PubChem (CID 174690802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).