3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane

C29H83Cl3O9Si12 — CID 160813008

IUPAC3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane
SMILESC=C[SiH](C)CCCCl.C[SiH](CCCCl)O[Si](C)([Si](C)(C)O)[Si](C)(C)O.C[Si](C)(O)[Si](C)(O)[Si](C)(C)O.C[Si]1(CCCCl)O[Si](C)(C)[Si](C)([Si](C)(C)O)O1
InChIInChI=1S/C9H25ClO3Si4.C9H27ClO3Si4.C6H13ClSi.C5H18O3Si3/c1-14(2,11)17(6)13-16(5,9-7-8-10)12-15(17,3)4;1-14(9-7-8-10)13-17(6,15(2,3)11)16(4,5)12;1-3-8(2)6-4-5-7;1-9(2,6)11(5,8)10(3,4)7/h11H,7-9H2,1-6H3;11-12,14H,7-9H2,1-6H3;3,8H,1,4-6H2,2H3;6-8H,1-5H3
InChIKeySENVGGSTANQEAO-UHFFFAOYSA-N
MW1019.36 g/mol
LogP7.28
Rot. Bonds17

About 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane

3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane (PubChem CID 160813008) has the molecular formula C29H83Cl3O9Si12 and a molecular weight of 1019.36 g/mol. Its IUPAC name is 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane.

Molecular Properties

Compound Name3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane
PubChem CID160813008
Molecular FormulaC29H83Cl3O9Si12
Molecular Weight1019.36 g/mol
Exact Mass1016.23
IUPAC Name3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane
SMILESC=C[SiH](C)CCCCl.C[SiH](CCCCl)O[Si](C)([Si](C)(C)O)[Si](C)(C)O.C[Si](C)(O)[Si](C)(O)[Si](C)(C)O.C[Si]1(CCCCl)O[Si](C)(C)[Si](C)([Si](C)(C)O)O1
InChIInChI=1S/C9H25ClO3Si4.C9H27ClO3Si4.C6H13ClSi.C5H18O3Si3/c1-14(2,11)17(6)13-16(5,9-7-8-10)12-15(17,3)4;1-14(9-7-8-10)13-17(6,15(2,3)11)16(4,5)12;1-3-8(2)6-4-5-7;1-9(2,6)11(5,8)10(3,4)7/h11H,7-9H2,1-6H3;11-12,14H,7-9H2,1-6H3;3,8H,1,4-6H2,2H3;6-8H,1-5H3
InChIKeySENVGGSTANQEAO-UHFFFAOYSA-N
XLogP7.28
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.36
LogP ≤ 57.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane?
The IUPAC name of 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane (CID 160813008) is 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane.
What is the SMILES notation for 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane?
The canonical SMILES for 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane is C=C[SiH](C)CCCCl.C[SiH](CCCCl)O[Si](C)([Si](C)(C)O)[Si](C)(C)O.C[Si](C)(O)[Si](C)(O)[Si](C)(C)O.C[Si]1(CCCCl)O[Si](C)(C)[Si](C)([Si](C)(C)O)O1.
What is the InChIKey of 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane?
The InChIKey is SENVGGSTANQEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H25ClO3Si4.C9H27ClO3Si4.C6H13ClSi.C5H18O3Si3/c1-14(2,11)17(6)13-16(5,9-7-8-10)12-15(17,3)4;1-14(9-7-8-10)13-17(6,15(2,3)11)16(4,5)12;1-3-8(2)6-4-5-7;1-9(2,6)11(5,8)10(3,4)7/h11H,7-9H2,1-6H3;11-12,14H,7-9H2,1-6H3;3,8H,1,4-6H2,2H3;6-8H,1-5H3.
What are the key properties of 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane?
3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane has a molecular weight of 1019.36 g/mol, XLogP of 7.28, 17 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-ethenyl-methylsilane;[3-chloropropyl(methyl)silyl]oxy-bis[hydroxy(dimethyl)silyl]-methylsilane;[2-(3-chloropropyl)-2,4,5,5-tetramethyl-1,3,2,4,5-dioxatrisilolan-4-yl]-hydroxy-dimethylsilane;hydroxy-bis[hydroxy(dimethyl)silyl]-methylsilane is sourced from PubChem (CID 160813008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).