3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane

C28H68Cl2O8Si4 — CID 161472491

IUPAC3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](O)(OC(C)C)OC(C)C.CC(C)O[Si](OC(C)C)(OC(C)C)O[Si](C)(C)CCCCl.C[SiH](C)CCCCl
InChIInChI=1S/C14H33ClO4Si2.C9H22O4Si.C5H13ClSi/c1-12(2)16-21(17-13(3)4,18-14(5)6)19-20(7,8)11-9-10-15;1-7(2)11-14(10,12-8(3)4)13-9(5)6;1-7(2)5-3-4-6/h12-14H,9-11H2,1-8H3;7-10H,1-6H3;7H,3-5H2,1-2H3
InChIKeyWDGTZKIFXZSDNV-UHFFFAOYSA-N
MW716.09 g/mol
LogP8.34
Rot. Bonds20

About 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane

3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane (PubChem CID 161472491) has the molecular formula C28H68Cl2O8Si4 and a molecular weight of 716.09 g/mol. Its IUPAC name is 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane
PubChem CID161472491
Molecular FormulaC28H68Cl2O8Si4
Molecular Weight716.09 g/mol
Exact Mass714.34
IUPAC Name3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](O)(OC(C)C)OC(C)C.CC(C)O[Si](OC(C)C)(OC(C)C)O[Si](C)(C)CCCCl.C[SiH](C)CCCCl
InChIInChI=1S/C14H33ClO4Si2.C9H22O4Si.C5H13ClSi/c1-12(2)16-21(17-13(3)4,18-14(5)6)19-20(7,8)11-9-10-15;1-7(2)11-14(10,12-8(3)4)13-9(5)6;1-7(2)5-3-4-6/h12-14H,9-11H2,1-8H3;7-10H,1-6H3;7H,3-5H2,1-2H3
InChIKeyWDGTZKIFXZSDNV-UHFFFAOYSA-N
XLogP8.34
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.09
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
CID 123685272
4-chlorobutyl(dimethyl)silane
CID 123153288
22-chlorodocosyl(dimethyl)silane
CID 71442861
2-chloroethyl-methyl-di(propan-2-yloxy)silane
CID 87801071
3-dimethylsilylpropyl-ethoxy-dimethylsilane
CID 59357373
3-dimethylsilylpropyl-dimethyl-methylsilyloxysilane
CID 173093108
[dihydroxy-[2-(methyl-propan-2-yl-propan-2-yloxysilyl)ethyl]silyl]oxy-dihydroxy-[2-(methyl-propan-2-yl-propan-2-yloxysilyl)ethyl]silane
CID 140891839
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
CID 174395414
3-chloropropyl-di(propan-2-yloxy)-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 71484184
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
CID 160843506
5-chloropentan-2-yloxy-(3-chloropropyl)-dimethoxysilane
CID 151213697

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane?
The IUPAC name of 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane (CID 161472491) is 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane.
What is the SMILES notation for 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane?
The canonical SMILES for 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane is CC(C)O[Si](O)(OC(C)C)OC(C)C.CC(C)O[Si](OC(C)C)(OC(C)C)O[Si](C)(C)CCCCl.C[SiH](C)CCCCl.
What is the InChIKey of 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane?
The InChIKey is WDGTZKIFXZSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33ClO4Si2.C9H22O4Si.C5H13ClSi/c1-12(2)16-21(17-13(3)4,18-14(5)6)19-20(7,8)11-9-10-15;1-7(2)11-14(10,12-8(3)4)13-9(5)6;1-7(2)5-3-4-6/h12-14H,9-11H2,1-8H3;7-10H,1-6H3;7H,3-5H2,1-2H3.
What are the key properties of 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane?
3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane has a molecular weight of 716.09 g/mol, XLogP of 8.34, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(dimethyl)silane;[3-chloropropyl(dimethyl)silyl] tripropan-2-yl silicate;hydroxy-tri(propan-2-yloxy)silane is sourced from PubChem (CID 161472491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).