[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane

C27H34Si — CID 102204409

IUPAC[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34Si/c1-5-6-7-10-17-25(20-21-28(2,3)4)23-27(26-18-13-9-14-19-26)22-24-15-11-8-12-16-24/h8-9,11-16,18-19,22-23H,5-7,10,17H2,1-4H3/b25-23-,27-22-
InChIKeyNCNSBPANQPNQGT-RNGJXVJCSA-N
MW386.66 g/mol
LogP8.00
Rot. Bonds8

About [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane

[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane (PubChem CID 102204409) has the molecular formula C27H34Si and a molecular weight of 386.66 g/mol. Its IUPAC name is [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane
PubChem CID102204409
Molecular FormulaC27H34Si
Molecular Weight386.66 g/mol
Exact Mass386.24
IUPAC Name[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane
SMILESCCCCCC/C(C#C[Si](C)(C)C)=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H34Si/c1-5-6-7-10-17-25(20-21-28(2,3)4)23-27(26-18-13-9-14-19-26)22-24-15-11-8-12-16-24/h8-9,11-16,18-19,22-23H,5-7,10,17H2,1-4H3/b25-23-,27-22-
InChIKeyNCNSBPANQPNQGT-RNGJXVJCSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 58.00
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
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[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane
CID 101369380
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
[(Z)-non-3-en-4-yl]benzene
CID 101008148
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633
(1-dodecylsulfanyl-2-phenylethenyl)benzene
CID 72811867
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
2-(chloromethyl)oct-1-enylbenzene
CID 69226716

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane?
The IUPAC name of [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane (CID 102204409) is [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane is CCCCCC/C(C#C[Si](C)(C)C)=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane?
The InChIKey is NCNSBPANQPNQGT-RNGJXVJCSA-N. The full InChI is InChI=1S/C27H34Si/c1-5-6-7-10-17-25(20-21-28(2,3)4)23-27(26-18-13-9-14-19-26)22-24-15-11-8-12-16-24/h8-9,11-16,18-19,22-23H,5-7,10,17H2,1-4H3/b25-23-,27-22-.
What are the key properties of [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane?
[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane has a molecular weight of 386.66 g/mol, XLogP of 8.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane is sourced from PubChem (CID 102204409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).