[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane

C18H26Si — CID 101354563

IUPAC[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
SMILESCC(C)(C)/C=C(/CC#Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-18(2,3)15-17(19(4,5)6)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,15H,14H2,1-6H3/b17-15-
InChIKeyNXRYINXEIASHCY-ICFOKQHNSA-N
MW270.49 g/mol
LogP5.28
Rot. Bonds2

About [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane

[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane (PubChem CID 101354563) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
PubChem CID101354563
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
SMILESCC(C)(C)/C=C(/CC#Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-18(2,3)15-17(19(4,5)6)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,15H,14H2,1-6H3/b17-15-
InChIKeyNXRYINXEIASHCY-ICFOKQHNSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(Z)-1-phenylnon-4-en-1-yn-4-yl]silane
CID 101354562
trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
CID 101197462
(3,3-dimethyl-6-phenylhex-1-en-5-yn-2-yl)oxy-trimethylsilane
CID 11807842
3-[(E)-4,4-dimethylpent-2-enyl]sulfanylprop-1-ynylbenzene
CID 101213468
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
[(Z)-1-chloro-4,4-dimethylpent-2-en-2-yl]-triphenylsilane
CID 134900973
2-methyl-2-(3-phenylprop-2-ynylsulfanyl)propanoic acid
CID 81222643
(3,3-dimethyl-2-oxobutyl)-diethyl-(3-phenylprop-2-ynyl)azanium
CID 46499959
2,2,3-trimethyl-N-(3-phenylprop-2-ynyl)butan-1-amine
CID 114099863
3-(4,4-dimethylpent-2-ynylsulfanyl)prop-1-ynylbenzene
CID 11287974
3-but-2-ynylsulfonylprop-1-ynylbenzene
CID 86057005
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656

Frequently Asked Questions

What is the IUPAC name of [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane?
The IUPAC name of [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane (CID 101354563) is [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane?
The canonical SMILES for [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane is CC(C)(C)/C=C(/CC#Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane?
The InChIKey is NXRYINXEIASHCY-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H26Si/c1-18(2,3)15-17(19(4,5)6)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,15H,14H2,1-6H3/b17-15-.
What are the key properties of [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane?
[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane is sourced from PubChem (CID 101354563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).