dichloro-(3-methoxypropyl)-methylsilane

C5H12Cl2OSi — CID 15393897

IUPACdichloro-(3-methoxypropyl)-methylsilane
SMILESCOCCC[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-8-4-3-5-9(2,6)7/h3-5H2,1-2H3
InChIKeyKKFXMXIAPIXACV-UHFFFAOYSA-N
MW187.14 g/mol
LogP2.57
Rot. Bonds4

About dichloro-(3-methoxypropyl)-methylsilane

dichloro-(3-methoxypropyl)-methylsilane (PubChem CID 15393897) has the molecular formula C5H12Cl2OSi and a molecular weight of 187.14 g/mol. Its IUPAC name is dichloro-(3-methoxypropyl)-methylsilane.

Molecular Properties

Compound Namedichloro-(3-methoxypropyl)-methylsilane
PubChem CID15393897
Molecular FormulaC5H12Cl2OSi
Molecular Weight187.14 g/mol
Exact Mass186.00
IUPAC Namedichloro-(3-methoxypropyl)-methylsilane
SMILESCOCCC[Si](C)(Cl)Cl
InChIInChI=1S/C5H12Cl2OSi/c1-8-4-3-5-9(2,6)7/h3-5H2,1-2H3
InChIKeyKKFXMXIAPIXACV-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-(3-methoxypropyl)-methylsilane?
The IUPAC name of dichloro-(3-methoxypropyl)-methylsilane (CID 15393897) is dichloro-(3-methoxypropyl)-methylsilane.
What is the SMILES notation for dichloro-(3-methoxypropyl)-methylsilane?
The canonical SMILES for dichloro-(3-methoxypropyl)-methylsilane is COCCC[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-(3-methoxypropyl)-methylsilane?
The InChIKey is KKFXMXIAPIXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12Cl2OSi/c1-8-4-3-5-9(2,6)7/h3-5H2,1-2H3.
What are the key properties of dichloro-(3-methoxypropyl)-methylsilane?
dichloro-(3-methoxypropyl)-methylsilane has a molecular weight of 187.14 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-methoxypropyl)-methylsilane is sourced from PubChem (CID 15393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).