trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane

C18H34Si2 — CID 53401400

IUPACtrimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane
SMILESCCCC=C(CCC)C(C#C[Si](C)(C)C)=C[Si](C)(C)C
InChIInChI=1S/C18H34Si2/c1-9-11-13-17(12-10-2)18(16-20(6,7)8)14-15-19(3,4)5/h13,16H,9-12H2,1-8H3
InChIKeyLOLPFCLUORHSSR-UHFFFAOYSA-N
MW306.64 g/mol
LogP6.20
Rot. Bonds6

About trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane

trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane (PubChem CID 53401400) has the molecular formula C18H34Si2 and a molecular weight of 306.64 g/mol. Its IUPAC name is trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane
PubChem CID53401400
Molecular FormulaC18H34Si2
Molecular Weight306.64 g/mol
Exact Mass306.22
IUPAC Nametrimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane
SMILESCCCC=C(CCC)C(C#C[Si](C)(C)C)=C[Si](C)(C)C
InChIInChI=1S/C18H34Si2/c1-9-11-13-17(12-10-2)18(16-20(6,7)8)14-15-19(3,4)5/h13,16H,9-12H2,1-8H3
InChIKeyLOLPFCLUORHSSR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.64
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
3-propylhept-3-en-2-one
CID 537652
dimethyl-(2-phenylethynyl)-(2-phenyl-3-propylhepta-1,3-dienyl)silane
CID 71442006
(2Z,4E)-2,3,4-tripropylocta-2,4-dienenitrile
CID 101430362
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014
2-propylhex-2-eneperoxoic acid
CID 175435177
[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane
CID 46237639
4-ethynyloct-4-ene
CID 85203899
trimethyl-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32-octabutyl-35-methoxy-35-methyl-3,7,11,15,19,23,27,31-octapropylhexatriaconta-3,7,11,15,19,23,27,31-octaen-1,5,9,13,17,21,25,29,33-nonaynyl]silane
CID 102388779
1-trimethylsilylundec-1-yn-3-one
CID 14798469
4-butylnon-4-en-1-ynyl(trimethyl)silane
CID 71415263
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane?
The IUPAC name of trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane (CID 53401400) is trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane.
What is the SMILES notation for trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane?
The canonical SMILES for trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane is CCCC=C(CCC)C(C#C[Si](C)(C)C)=C[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane?
The InChIKey is LOLPFCLUORHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34Si2/c1-9-11-13-17(12-10-2)18(16-20(6,7)8)14-15-19(3,4)5/h13,16H,9-12H2,1-8H3.
What are the key properties of trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane?
trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane has a molecular weight of 306.64 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-propyl-2-(2-trimethylsilylethynyl)hepta-1,3-dienyl]silane is sourced from PubChem (CID 53401400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).