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

C28H60OSi — CID 165167389

IUPAC3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane
SMILESCC[Si](CC)(CCCOCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C28H60OSi/c1-13-30(14-2,23(3)4)19-15-18-29-22-26(25(6)21-28(10,11)12)17-16-24(5)20-27(7,8)9/h23-26H,13-22H2,1-12H3
InChIKeyHNFZCPHEQIWCBY-UHFFFAOYSA-N
MW440.87 g/mol
LogP9.83
Rot. Bonds15

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

3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane (PubChem CID 165167389) has the molecular formula C28H60OSi and a molecular weight of 440.87 g/mol. Its IUPAC name is 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane.

Molecular Properties

Compound Name3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane
PubChem CID165167389
Molecular FormulaC28H60OSi
Molecular Weight440.87 g/mol
Exact Mass440.44
IUPAC Name3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane
SMILESCC[Si](CC)(CCCOCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C28H60OSi/c1-13-30(14-2,23(3)4)19-15-18-29-22-26(25(6)21-28(10,11)12)17-16-24(5)20-27(7,8)9/h23-26H,13-22H2,1-12H3
InChIKeyHNFZCPHEQIWCBY-UHFFFAOYSA-N
XLogP9.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.87
LogP ≤ 59.83
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane?
The IUPAC name of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane (CID 165167389) is 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane.
What is the SMILES notation for 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane?
The canonical SMILES for 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane is CC[Si](CC)(CCCOCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)C(C)C.
What is the InChIKey of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane?
The InChIKey is HNFZCPHEQIWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60OSi/c1-13-30(14-2,23(3)4)19-15-18-29-22-26(25(6)21-28(10,11)12)17-16-24(5)20-27(7,8)9/h23-26H,13-22H2,1-12H3.
What are the key properties of 3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane?
3-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]propyl-diethyl-propan-2-ylsilane has a molecular weight of 440.87 g/mol, XLogP of 9.83, 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-diethyl-propan-2-ylsilane is sourced from PubChem (CID 165167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).