(2-chlorophenoxy)-ethenyl-methyl-propoxysilane

C12H17ClO2Si — CID 91737847

IUPAC(2-chlorophenoxy)-ethenyl-methyl-propoxysilane
SMILESC=C[Si](C)(OCCC)Oc1ccccc1Cl
InChIInChI=1S/C12H17ClO2Si/c1-4-10-14-16(3,5-2)15-12-9-7-6-8-11(12)13/h5-9H,2,4,10H2,1,3H3
InChIKeyBGLJHNTWFOCKIB-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.94
Rot. Bonds6

About (2-chlorophenoxy)-ethenyl-methyl-propoxysilane

(2-chlorophenoxy)-ethenyl-methyl-propoxysilane (PubChem CID 91737847) has the molecular formula C12H17ClO2Si and a molecular weight of 256.80 g/mol. Its IUPAC name is (2-chlorophenoxy)-ethenyl-methyl-propoxysilane.

Molecular Properties

Compound Name(2-chlorophenoxy)-ethenyl-methyl-propoxysilane
PubChem CID91737847
Molecular FormulaC12H17ClO2Si
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name(2-chlorophenoxy)-ethenyl-methyl-propoxysilane
SMILESC=C[Si](C)(OCCC)Oc1ccccc1Cl
InChIInChI=1S/C12H17ClO2Si/c1-4-10-14-16(3,5-2)15-12-9-7-6-8-11(12)13/h5-9H,2,4,10H2,1,3H3
InChIKeyBGLJHNTWFOCKIB-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenoxy)-ethenyl-methyl-propoxysilane?
The IUPAC name of (2-chlorophenoxy)-ethenyl-methyl-propoxysilane (CID 91737847) is (2-chlorophenoxy)-ethenyl-methyl-propoxysilane.
What is the SMILES notation for (2-chlorophenoxy)-ethenyl-methyl-propoxysilane?
The canonical SMILES for (2-chlorophenoxy)-ethenyl-methyl-propoxysilane is C=C[Si](C)(OCCC)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenoxy)-ethenyl-methyl-propoxysilane?
The InChIKey is BGLJHNTWFOCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2Si/c1-4-10-14-16(3,5-2)15-12-9-7-6-8-11(12)13/h5-9H,2,4,10H2,1,3H3.
What are the key properties of (2-chlorophenoxy)-ethenyl-methyl-propoxysilane?
(2-chlorophenoxy)-ethenyl-methyl-propoxysilane has a molecular weight of 256.80 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenoxy)-ethenyl-methyl-propoxysilane is sourced from PubChem (CID 91737847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).