2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane

C13H29ClO3Si3 — CID 154440839

IUPAC2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane
SMILESCC(C)=C[SiH2]OC(CO[SiH2]CCCCl)O[SiH2]C=C(C)C
InChIInChI=1S/C13H29ClO3Si3/c1-11(2)9-19-16-13(17-20-10-12(3)4)8-15-18-7-5-6-14/h9-10,13H,5-8,18-20H2,1-4H3
InChIKeyVCECZSPIHINZLU-UHFFFAOYSA-N
MW353.08 g/mol
LogP1.51
Rot. Bonds12

About 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane

2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane (PubChem CID 154440839) has the molecular formula C13H29ClO3Si3 and a molecular weight of 353.08 g/mol. Its IUPAC name is 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane.

Molecular Properties

Compound Name2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane
PubChem CID154440839
Molecular FormulaC13H29ClO3Si3
Molecular Weight353.08 g/mol
Exact Mass352.11
IUPAC Name2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane
SMILESCC(C)=C[SiH2]OC(CO[SiH2]CCCCl)O[SiH2]C=C(C)C
InChIInChI=1S/C13H29ClO3Si3/c1-11(2)9-19-16-13(17-20-10-12(3)4)8-15-18-7-5-6-14/h9-10,13H,5-8,18-20H2,1-4H3
InChIKeyVCECZSPIHINZLU-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethoxyethoxysilyl)butane-1-thiol
CID 154430039
triethyl-(2-hexylsilyloxy-1-triethylsilyloxyethoxy)silane
CID 154133204
(1-acetyloxy-2-ethylsilyloxyethyl) acetate
CID 172806148
2-methylprop-1-enyl(2,2,2-trifluoroethoxy)silane
CID 150189388
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[bis(2-methylprop-1-enylsilyloxy)methoxy]silane
CID 154440834
2-(2,2-dimethoxyethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154483341
2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154135001
butyl(1,2-dipropoxyethoxy)silane
CID 123351057
chloro(2-methylprop-1-enyl)silane
CID 57370515
4-(2-methylprop-1-enylsilyl)butan-1-ol
CID 154168843
2-chloroethyl(dichloromethoxy)silane
CID 123769523
1,7-dichloro-4-methylheptane
CID 175347315

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane?
The IUPAC name of 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane (CID 154440839) is 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane.
What is the SMILES notation for 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane?
The canonical SMILES for 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane is CC(C)=C[SiH2]OC(CO[SiH2]CCCCl)O[SiH2]C=C(C)C.
What is the InChIKey of 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane?
The InChIKey is VCECZSPIHINZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29ClO3Si3/c1-11(2)9-19-16-13(17-20-10-12(3)4)8-15-18-7-5-6-14/h9-10,13H,5-8,18-20H2,1-4H3.
What are the key properties of 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane?
2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane has a molecular weight of 353.08 g/mol, XLogP of 1.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylprop-1-enylsilyloxy)ethoxy-(3-chloropropyl)silane is sourced from PubChem (CID 154440839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).