3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane

C30H57IO6Si2 — CID 102097840

IUPAC3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCc1cc(I)cc(CCC[Si](OC(C)C)(OC(C)C)OC(C)C)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C30H57IO6Si2/c1-22(2)32-38(33-23(3)4,34-24(5)6)17-13-15-28-19-29(21-30(31)20-28)16-14-18-39(35-25(7)8,36-26(9)10)37-27(11)12/h19-27H,13-18H2,1-12H3
InChIKeyYLFOIUCJOXAAJI-UHFFFAOYSA-N
MW696.86 g/mol
LogP8.58
Rot. Bonds20

About 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane

3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane (PubChem CID 102097840) has the molecular formula C30H57IO6Si2 and a molecular weight of 696.86 g/mol. Its IUPAC name is 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
PubChem CID102097840
Molecular FormulaC30H57IO6Si2
Molecular Weight696.86 g/mol
Exact Mass696.27
IUPAC Name3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[Si](CCCc1cc(I)cc(CCC[Si](OC(C)C)(OC(C)C)OC(C)C)c1)(OC(C)C)OC(C)C
InChIInChI=1S/C30H57IO6Si2/c1-22(2)32-38(33-23(3)4,34-24(5)6)17-13-15-28-19-29(21-30(31)20-28)16-14-18-39(35-25(7)8,36-26(9)10)37-27(11)12/h19-27H,13-18H2,1-12H3
InChIKeyYLFOIUCJOXAAJI-UHFFFAOYSA-N
XLogP8.58
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.86
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
3-[4-(5-bromothiophen-2-yl)phenyl]propyl-tri(propan-2-yloxy)silane
CID 102097847
3-phenylpropyl-tri(propan-2-yloxy)silane;triethoxy(3-phenylprop-2-enyl)silane
CID 175429472
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
tri(propan-2-yloxy)-[4-[7-[4-tri(propan-2-yloxy)silylbutyl]-1,10-phenanthrolin-4-yl]butyl]silane
CID 162392866
N-[3-tri(propan-2-yloxy)silylpropyl]-1,3,5-triazin-2-amine
CID 141380908
5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
1-(3-bromopropyl)-3-ethyl-5-iodobenzene
CID 118841461
8-tri(propan-2-yloxy)silyloctane-1-thiol
CID 151398463

Frequently Asked Questions

What is the IUPAC name of 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane?
The IUPAC name of 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane (CID 102097840) is 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane?
The canonical SMILES for 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane is CC(C)O[Si](CCCc1cc(I)cc(CCC[Si](OC(C)C)(OC(C)C)OC(C)C)c1)(OC(C)C)OC(C)C.
What is the InChIKey of 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane?
The InChIKey is YLFOIUCJOXAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57IO6Si2/c1-22(2)32-38(33-23(3)4,34-24(5)6)17-13-15-28-19-29(21-30(31)20-28)16-14-18-39(35-25(7)8,36-26(9)10)37-27(11)12/h19-27H,13-18H2,1-12H3.
What are the key properties of 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane?
3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane has a molecular weight of 696.86 g/mol, XLogP of 8.58, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-iodo-5-[3-tri(propan-2-yloxy)silylpropyl]phenyl]propyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 102097840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).