phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane

C27H46O6Si2 — CID 159737253

IUPACphenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccccc1.CCO[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C15H26O3Si.C12H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15;1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-14H,1-6H3;7-11H,4-6H2,1-3H3
InChIKeyNBZLAVFSSKZNBW-UHFFFAOYSA-N
MW522.83 g/mol
LogP5.05
Rot. Bonds14

About phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane

phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane (PubChem CID 159737253) has the molecular formula C27H46O6Si2 and a molecular weight of 522.83 g/mol. Its IUPAC name is phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane.

Molecular Properties

Compound Namephenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
PubChem CID159737253
Molecular FormulaC27H46O6Si2
Molecular Weight522.83 g/mol
Exact Mass522.28
IUPAC Namephenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccccc1.CCO[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C15H26O3Si.C12H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15;1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-14H,1-6H3;7-11H,4-6H2,1-3H3
InChIKeyNBZLAVFSSKZNBW-UHFFFAOYSA-N
XLogP5.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.83
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;triethoxy(phenyl)silane
CID 174836592
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
fluorosilane;triethoxy(phenyl)silane
CID 174494490
boric acid;triethoxy(phenyl)silane
CID 174800585
[diethoxy(phenyl)silyl]oxy-diethoxy-phenylsilane
CID 14533277
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
CID 153327930
tributoxy-(4-tributoxysilylphenyl)silane;tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylphenyl]silane
CID 87873326
3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
CID 87401013
1-[diethoxy(phenyl)silyl]ethyl-diethoxy-phenylsilane
CID 54185163
diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
CID 53432346

Frequently Asked Questions

What is the IUPAC name of phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane?
The IUPAC name of phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane (CID 159737253) is phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane.
What is the SMILES notation for phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane?
The canonical SMILES for phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane is CC(C)O[Si](OC(C)C)(OC(C)C)c1ccccc1.CCO[Si](OCC)(OCC)c1ccccc1.
What is the InChIKey of phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane?
The InChIKey is NBZLAVFSSKZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si.C12H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15;1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-14H,1-6H3;7-11H,4-6H2,1-3H3.
What are the key properties of phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane?
phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane has a molecular weight of 522.83 g/mol, XLogP of 5.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane is sourced from PubChem (CID 159737253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).