3-chloropropoxysilane;silane

C3H13ClOSi2 — CID 174934483

IUPAC3-chloropropoxysilane;silane
SMILES[SiH3]OCCCCl.[SiH4]
InChIInChI=1S/C3H9ClOSi.H4Si/c4-2-1-3-5-6;/h1-3H2,6H3;1H4
InChIKeyJYMVYUPMJOOVGF-UHFFFAOYSA-N
MW156.76 g/mol
LogP-1.54
Rot. Bonds3

About 3-chloropropoxysilane;silane

3-chloropropoxysilane;silane (PubChem CID 174934483) has the molecular formula C3H13ClOSi2 and a molecular weight of 156.76 g/mol. Its IUPAC name is 3-chloropropoxysilane;silane.

Molecular Properties

Compound Name3-chloropropoxysilane;silane
PubChem CID174934483
Molecular FormulaC3H13ClOSi2
Molecular Weight156.76 g/mol
Exact Mass156.02
IUPAC Name3-chloropropoxysilane;silane
SMILES[SiH3]OCCCCl.[SiH4]
InChIInChI=1S/C3H9ClOSi.H4Si/c4-2-1-3-5-6;/h1-3H2,6H3;1H4
InChIKeyJYMVYUPMJOOVGF-UHFFFAOYSA-N
XLogP-1.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.76
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Chloropropoxysilane
CID 123181828
1-Chloropropoxysilane
CID 123834424
3-Chloropropoxyperoxysilane
CID 154174903
1,3-Dichloropropoxysilane
CID 174690802

Frequently Asked Questions

What is the IUPAC name of 3-chloropropoxysilane;silane?
The IUPAC name of 3-chloropropoxysilane;silane (CID 174934483) is 3-chloropropoxysilane;silane.
What is the SMILES notation for 3-chloropropoxysilane;silane?
The canonical SMILES for 3-chloropropoxysilane;silane is [SiH3]OCCCCl.[SiH4].
What is the InChIKey of 3-chloropropoxysilane;silane?
The InChIKey is JYMVYUPMJOOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClOSi.H4Si/c4-2-1-3-5-6;/h1-3H2,6H3;1H4.
What are the key properties of 3-chloropropoxysilane;silane?
3-chloropropoxysilane;silane has a molecular weight of 156.76 g/mol, XLogP of -1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropoxysilane;silane is sourced from PubChem (CID 174934483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).