3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane

C16H30Si — CID 10385985

IUPAC3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=C[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H30Si/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7/h8,13H,1,9-11,14H2,2-7H3
InChIKeyGALBPCZIXZNADG-UHFFFAOYSA-N
MW250.50 g/mol
LogP5.74
Rot. Bonds6

About 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane

3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane (PubChem CID 10385985) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
PubChem CID10385985
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Name3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane
SMILESC=CCCCC(=C=C[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H30Si/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7/h8,13H,1,9-11,14H2,2-7H3
InChIKeyGALBPCZIXZNADG-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(3-methylnon-1-en-3-yl)silane
CID 134980981
2-But-3-en-2-yloct-1-enyl(trimethyl)silane;chlorozinc(1+)
CID 135008031
Silane, [1-(5-hexenyl)-2-methylenecyclopropyl]trimethyl-
CID 552265
[(1Z)-2-tert-butylpenta-1,4-dienyl]-trimethylsilane
CID 102505043
[(E)-2-but-3-en-2-yloct-1-enyl]-trimethylsilane
CID 13180811
Trimethyl(5-methylpentadec-14-en-6-yl)silane
CID 20725099
2,2-Dimethyloct-7-enyl(trimethyl)silane
CID 60105446
2-But-3-en-2-yloct-1-enyl(trimethyl)silane
CID 73167229
[3-(3,3-Dimethylbut-1-en-2-yl)-6,6-dimethylheptyl]-trimethylsilane
CID 91087956
Dimethyl-(2,2,7,7-tetramethyl-6-methylideneoctan-4-yl)-trimethylsilyloxysilane
CID 91458960
Tert-butyl-[2-(2,2-dimethylpropyl)-3,3-dimethylpent-1-enyl]-dimethylsilane
CID 123718187
Tert-butyl-dimethyl-(2,2,6,6-tetramethyl-3-methylideneheptan-4-yl)silane
CID 123797471

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The IUPAC name of 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane (CID 10385985) is 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The canonical SMILES for 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane is C=CCCCC(=C=C[Si](C)(C)C)CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
The InChIKey is GALBPCZIXZNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Si/c1-8-9-10-11-15(14-16(2,3)4)12-13-17(5,6)7/h8,13H,1,9-11,14H2,2-7H3.
What are the key properties of 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane?
3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)octa-1,2,7-trienyl-trimethylsilane is sourced from PubChem (CID 10385985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).