2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C18H42O4Si4 — CID 123360679

IUPAC2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)CC(=C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)C(C)(C)C
InChIInChI=1S/C18H42O4Si4/c1-17(2,3)14-16(18(4,5)6)15-26(13)21-24(9,10)19-23(7,8)20-25(11,12)22-26/h15H,14H2,1-13H3
InChIKeyNKJMEQFKGZEYQK-UHFFFAOYSA-N
MW434.87 g/mol
LogP6.19
Rot. Bonds2

About 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 123360679) has the molecular formula C18H42O4Si4 and a molecular weight of 434.87 g/mol. Its IUPAC name is 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID123360679
Molecular FormulaC18H42O4Si4
Molecular Weight434.87 g/mol
Exact Mass434.22
IUPAC Name2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)(C)CC(=C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)C(C)(C)C
InChIInChI=1S/C18H42O4Si4/c1-17(2,3)14-16(18(4,5)6)15-26(13)21-24(9,10)19-23(7,8)20-25(11,12)22-26/h15H,14H2,1-13H3
InChIKeyNKJMEQFKGZEYQK-UHFFFAOYSA-N
XLogP6.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.87
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 123360679) is 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C)(C)CC(=C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is NKJMEQFKGZEYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O4Si4/c1-17(2,3)14-16(18(4,5)6)15-26(13)21-24(9,10)19-23(7,8)20-25(11,12)22-26/h15H,14H2,1-13H3.
What are the key properties of 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 434.87 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4,4-dimethylpent-1-enyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 123360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).