silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate

C25H59ClO8Si3 — CID 173439858

IUPACsilane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
SMILESCCC(C)O[Si](OC(C)CC)(OC(C)CC)OC(Cl)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC.[SiH4]
InChIInChI=1S/C25H55ClO8Si2.H4Si/c1-13-19(7)27-35(28-20(8)14-2,29-21(9)15-3)33-25(26)34-36(30-22(10)16-4,31-23(11)17-5)32-24(12)18-6;/h19-25H,13-18H2,1-12H3;1H4
InChIKeySXRNTIIMZBQMLM-UHFFFAOYSA-N
MW607.45 g/mol
LogP5.85
Rot. Bonds22

About silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate

silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate (PubChem CID 173439858) has the molecular formula C25H59ClO8Si3 and a molecular weight of 607.45 g/mol. Its IUPAC name is silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate.

Molecular Properties

Compound Namesilane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
PubChem CID173439858
Molecular FormulaC25H59ClO8Si3
Molecular Weight607.45 g/mol
Exact Mass606.32
IUPAC Namesilane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
SMILESCCC(C)O[Si](OC(C)CC)(OC(C)CC)OC(Cl)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC.[SiH4]
InChIInChI=1S/C25H55ClO8Si2.H4Si/c1-13-19(7)27-35(28-20(8)14-2,29-21(9)15-3)33-25(26)34-36(30-22(10)16-4,31-23(11)17-5)32-24(12)18-6;/h19-25H,13-18H2,1-12H3;1H4
InChIKeySXRNTIIMZBQMLM-UHFFFAOYSA-N
XLogP5.85
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

butan-2-yloxy(trifluoro)silane
CID 139698308
butan-2-yloxy-ethyl-dimethylsilane
CID 554677
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
butan-2-yloxy-diethyl-methylsilane
CID 59538140
bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 175131164
di(butan-2-yloxy)-chloro-trimethylsilyloxysilane
CID 13033730
butan-2-yloxy-dimethyl-propylsilane
CID 87645546
2-chlorobutane;silane
CID 174414093
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
butan-2-yloxy-ethenyl-dimethylsilane
CID 559225

Frequently Asked Questions

What is the IUPAC name of silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate?
The IUPAC name of silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate (CID 173439858) is silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate.
What is the SMILES notation for silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate?
The canonical SMILES for silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate is CCC(C)O[Si](OC(C)CC)(OC(C)CC)OC(Cl)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC.[SiH4].
What is the InChIKey of silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate?
The InChIKey is SXRNTIIMZBQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55ClO8Si2.H4Si/c1-13-19(7)27-35(28-20(8)14-2,29-21(9)15-3)33-25(26)34-36(30-22(10)16-4,31-23(11)17-5)32-24(12)18-6;/h19-25H,13-18H2,1-12H3;1H4.
What are the key properties of silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate?
silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate has a molecular weight of 607.45 g/mol, XLogP of 5.85, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate is sourced from PubChem (CID 173439858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).