[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane

C30H58Si3 — CID 10744066

IUPAC[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane
SMILESCCCCC#C/C=C(/C=C(/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C30H58Si3/c1-11-21-22-23-24-25-29(32(15-5,16-6)17-7)28-30(33(18-8,19-9)20-10)26-27-31(12-2,13-3)14-4/h25-28H,11-22H2,1-10H3/b27-26+,29-25-,30-28-
InChIKeyMKBUHVORIHTKBF-VAVCICCBSA-N
MW503.05 g/mol
LogP10.73
Rot. Bonds16

About [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane

[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane (PubChem CID 10744066) has the molecular formula C30H58Si3 and a molecular weight of 503.05 g/mol. Its IUPAC name is [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane.

Molecular Properties

Compound Name[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane
PubChem CID10744066
Molecular FormulaC30H58Si3
Molecular Weight503.05 g/mol
Exact Mass502.38
IUPAC Name[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane
SMILESCCCCC#C/C=C(/C=C(/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C30H58Si3/c1-11-21-22-23-24-25-29(32(15-5,16-6)17-7)28-30(33(18-8,19-9)20-10)26-27-31(12-2,13-3)14-4/h25-28H,11-22H2,1-10H3/b27-26+,29-25-,30-28-
InChIKeyMKBUHVORIHTKBF-VAVCICCBSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 510.73
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': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane with MolForge

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Related Compounds

(Z)-3-methyldec-3-en-5-yne
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(Z)-5-butylsulfanyldodec-5-en-7-yne
CID 102456333
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
CID 90985110
CID 90985110
(E)-non-2-en-4-yne
CID 5367387
pentadeca-5,10-diyne
CID 15530767
(Z)-2-(2,2-dimethylpropanoyl)non-2-en-4-ynenitrile
CID 166438409
ethyl (E)-2-acetylnon-2-en-4-ynoate
CID 102313886
N-butylhex-1-yn-1-amine
CID 57233970
(Z)-2-triethylsilylnon-2-enal
CID 11184384
(Z)-7-butylsulfanylhexadec-7-en-9-yne
CID 102456334
(9R,10S)-9,10-bis(ethenyl)octadeca-5,13-diyne
CID 100953556

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane?
The IUPAC name of [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane (CID 10744066) is [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane.
What is the SMILES notation for [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane?
The canonical SMILES for [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane is CCCCC#C/C=C(/C=C(/C=C/[Si](CC)(CC)CC)[Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane?
The InChIKey is MKBUHVORIHTKBF-VAVCICCBSA-N. The full InChI is InChI=1S/C30H58Si3/c1-11-21-22-23-24-25-29(32(15-5,16-6)17-7)28-30(33(18-8,19-9)20-10)26-27-31(12-2,13-3)14-4/h25-28H,11-22H2,1-10H3/b27-26+,29-25-,30-28-.
What are the key properties of [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane?
[(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane has a molecular weight of 503.05 g/mol, XLogP of 10.73, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1Z,3E)-2,4-bis(triethylsilyl)buta-1,3-dienyl]oct-1-en-3-ynyl]-triethylsilane is sourced from PubChem (CID 10744066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).