1-chloropropyl-tris(1-methoxyethoxy)silane

C12H27ClO6Si — CID 87704035

IUPAC1-chloropropyl-tris(1-methoxyethoxy)silane
SMILESCCC(Cl)[Si](OC(C)OC)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H27ClO6Si/c1-8-12(13)20(17-9(2)14-5,18-10(3)15-6)19-11(4)16-7/h9-12H,8H2,1-7H3
InChIKeyLIDXSQIVRWGERF-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.51
Rot. Bonds11

About 1-chloropropyl-tris(1-methoxyethoxy)silane

1-chloropropyl-tris(1-methoxyethoxy)silane (PubChem CID 87704035) has the molecular formula C12H27ClO6Si and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-chloropropyl-tris(1-methoxyethoxy)silane.

Molecular Properties

Compound Name1-chloropropyl-tris(1-methoxyethoxy)silane
PubChem CID87704035
Molecular FormulaC12H27ClO6Si
Molecular Weight330.88 g/mol
Exact Mass330.13
IUPAC Name1-chloropropyl-tris(1-methoxyethoxy)silane
SMILESCCC(Cl)[Si](OC(C)OC)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H27ClO6Si/c1-8-12(13)20(17-9(2)14-5,18-10(3)15-6)19-11(4)16-7/h9-12H,8H2,1-7H3
InChIKeyLIDXSQIVRWGERF-UHFFFAOYSA-N
XLogP2.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Chloroethyl-tris-ethoxymethoxy silane
CID 54288725
3-Chloropropyl-tris(1-methoxyethoxy)silane
CID 18429084
4-Chlorobutyl-tris(1-methoxyethoxy)silane
CID 18954188
1-Chloropropan-2-yl-tris(1-methoxyethoxy)silane
CID 20497622
2-Chloroethyl-tris(1-ethoxyethoxy)silane
CID 20537253
2-Chloroethyl-bis(1-ethoxyethoxy)-hydroxysilane
CID 20537272
2-Chloroethyl-bis(ethoxymethoxy)-ethylsilane
CID 53632174
Bis(butoxymethoxy)-(2-chloroethyl)-ethylsilane
CID 54319803
2-Chloroethyl-ethoxy-bis(ethoxymethoxy)silane
CID 57133200
CID 87063294
CID 87063294
Chloromethyl-tris(1-methoxyethoxy)silane
CID 87407458
2-Chloroethyl-bis(1-methoxyethoxy)-methylsilane
CID 88751526

Frequently Asked Questions

What is the IUPAC name of 1-chloropropyl-tris(1-methoxyethoxy)silane?
The IUPAC name of 1-chloropropyl-tris(1-methoxyethoxy)silane (CID 87704035) is 1-chloropropyl-tris(1-methoxyethoxy)silane.
What is the SMILES notation for 1-chloropropyl-tris(1-methoxyethoxy)silane?
The canonical SMILES for 1-chloropropyl-tris(1-methoxyethoxy)silane is CCC(Cl)[Si](OC(C)OC)(OC(C)OC)OC(C)OC.
What is the InChIKey of 1-chloropropyl-tris(1-methoxyethoxy)silane?
The InChIKey is LIDXSQIVRWGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO6Si/c1-8-12(13)20(17-9(2)14-5,18-10(3)15-6)19-11(4)16-7/h9-12H,8H2,1-7H3.
What are the key properties of 1-chloropropyl-tris(1-methoxyethoxy)silane?
1-chloropropyl-tris(1-methoxyethoxy)silane has a molecular weight of 330.88 g/mol, XLogP of 2.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropyl-tris(1-methoxyethoxy)silane is sourced from PubChem (CID 87704035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).