3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane

C36H60OSi — CID 165167392

IUPAC3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane
SMILESCC(CCC(COCCC[Si](c1ccccc1)(c1ccccc1)C(C)C)C(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C36H60OSi/c1-29(2)38(33-18-13-11-14-19-33,34-20-15-12-16-21-34)25-17-24-37-28-32(31(4)27-36(8,9)10)23-22-30(3)26-35(5,6)7/h11-16,18-21,29-32H,17,22-28H2,1-10H3
InChIKeyVUUUQUUBVVLFHJ-UHFFFAOYSA-N
MW536.96 g/mol
LogP9.61
Rot. Bonds15

About 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane

3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane (PubChem CID 165167392) has the molecular formula C36H60OSi and a molecular weight of 536.96 g/mol. Its IUPAC name is 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane.

Molecular Properties

Compound Name3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane
PubChem CID165167392
Molecular FormulaC36H60OSi
Molecular Weight536.96 g/mol
Exact Mass536.44
IUPAC Name3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane
SMILESCC(CCC(COCCC[Si](c1ccccc1)(c1ccccc1)C(C)C)C(C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C36H60OSi/c1-29(2)38(33-18-13-11-14-19-33,34-20-15-12-16-21-34)25-17-24-37-28-32(31(4)27-36(8,9)10)23-22-30(3)26-35(5,6)7/h11-16,18-21,29-32H,17,22-28H2,1-10H3
InChIKeyVUUUQUUBVVLFHJ-UHFFFAOYSA-N
XLogP9.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.96
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]aniline
CID 4246683
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
2,2,4,8,10,10-hexamethylundecane
CID 54023173
[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] cyclohexanecarboxylate
CID 167430844
2,2,9,9-tetrakis[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl]decane-1,10-diamine
CID 170153777
[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 2-tert-butylcyclohexane-1-carboxylate
CID 167430836
[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 4-tert-butylcyclohexane-1-carboxylate
CID 167430842
[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 167430835
3,3-dimethyl-N-[3-(2-methylpropoxy)propyl]-1-phenylbutan-1-amine
CID 43770151
2,4,6-tris(3,5,5-trimethylhexoxy)-1,3,5-triazine
CID 633352
[1-(15-fluoropentadecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene
CID 126586651

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane?
The IUPAC name of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane (CID 165167392) is 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane.
What is the SMILES notation for 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane?
The canonical SMILES for 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane is CC(CCC(COCCC[Si](c1ccccc1)(c1ccccc1)C(C)C)C(C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane?
The InChIKey is VUUUQUUBVVLFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60OSi/c1-29(2)38(33-18-13-11-14-19-33,34-20-15-12-16-21-34)25-17-24-37-28-32(31(4)27-36(8,9)10)23-22-30(3)26-35(5,6)7/h11-16,18-21,29-32H,17,22-28H2,1-10H3.
What are the key properties of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane?
3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane has a molecular weight of 536.96 g/mol, XLogP of 9.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diphenyl-propan-2-ylsilane is sourced from PubChem (CID 165167392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).