3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane

C33H56O6Si2 — CID 175429472

IUPAC3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane
SMILESCC(C)O[Si](CCCc1ccccc1)(OC(C)C)OC(C)C.CCO[Si](CC=Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32O3Si.C15H24O3Si/c1-15(2)19-22(20-16(3)4,21-17(5)6)14-10-13-18-11-8-7-9-12-18;1-4-16-19(17-5-2,18-6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12,15-17H,10,13-14H2,1-6H3;7-13H,4-6,14H2,1-3H3
InChIKeyOBDXXOCNJQUSRF-UHFFFAOYSA-N
MW604.98 g/mol
LogP8.58
Rot. Bonds19

About 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane

3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane (PubChem CID 175429472) has the molecular formula C33H56O6Si2 and a molecular weight of 604.98 g/mol. Its IUPAC name is 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane.

Molecular Properties

Compound Name3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane
PubChem CID175429472
Molecular FormulaC33H56O6Si2
Molecular Weight604.98 g/mol
Exact Mass604.36
IUPAC Name3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane
SMILESCC(C)O[Si](CCCc1ccccc1)(OC(C)C)OC(C)C.CCO[Si](CC=Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C18H32O3Si.C15H24O3Si/c1-15(2)19-22(20-16(3)4,21-17(5)6)14-10-13-18-11-8-7-9-12-18;1-4-16-19(17-5-2,18-6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12,15-17H,10,13-14H2,1-6H3;7-13H,4-6,14H2,1-3H3
InChIKeyOBDXXOCNJQUSRF-UHFFFAOYSA-N
XLogP8.58
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.98
LogP ≤ 58.58
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

1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
CID 154190477
N'-(3-phenylprop-2-enyl)-N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 67479240
3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
CID 102097840
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
CID 175604345
dimethyl-(2-phenylethyl)-propan-2-yloxysilane
CID 58897732
triethoxy-[3-[4-(1-ethoxyethoxy)phenyl]propyl]silane
CID 123955246
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
CID 175314964
trimethoxy(12-phenyldodecyl)silane
CID 54325157
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane?
The IUPAC name of 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane (CID 175429472) is 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane.
What is the SMILES notation for 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane?
The canonical SMILES for 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane is CC(C)O[Si](CCCc1ccccc1)(OC(C)C)OC(C)C.CCO[Si](CC=Cc1ccccc1)(OCC)OCC.
What is the InChIKey of 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane?
The InChIKey is OBDXXOCNJQUSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si.C15H24O3Si/c1-15(2)19-22(20-16(3)4,21-17(5)6)14-10-13-18-11-8-7-9-12-18;1-4-16-19(17-5-2,18-6-3)14-10-13-15-11-8-7-9-12-15/h7-9,11-12,15-17H,10,13-14H2,1-6H3;7-13H,4-6,14H2,1-3H3.
What are the key properties of 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane?
3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane has a molecular weight of 604.98 g/mol, XLogP of 8.58, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane is sourced from PubChem (CID 175429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).