[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane

C19H30Si — CID 156679715

IUPAC[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane
SMILES[2H]C([2H])(C)/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])C#C[Si](C)(C)C
InChIInChI=1S/C19H30Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h6-7,9-10,12-13,15-16H,5,8,11,14,17H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/i5D2,8D2,11D2,14D2,17D2
InChIKeyQIBKNGWPHZJTTM-HUCDKZRJSA-N
MW296.60 g/mol
LogP6.06
Rot. Bonds8

About [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane

[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane (PubChem CID 156679715) has the molecular formula C19H30Si and a molecular weight of 296.60 g/mol. Its IUPAC name is [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane
PubChem CID156679715
Molecular FormulaC19H30Si
Molecular Weight296.60 g/mol
Exact Mass296.27
IUPAC Name[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane
SMILES[2H]C([2H])(C)/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])C#C[Si](C)(C)C
InChIInChI=1S/C19H30Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h6-7,9-10,12-13,15-16H,5,8,11,14,17H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/i5D2,8D2,11D2,14D2,17D2
InChIKeyQIBKNGWPHZJTTM-HUCDKZRJSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.60
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane?
The IUPAC name of [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane (CID 156679715) is [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane is [2H]C([2H])(C)/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])/C=C\C([2H])([2H])C#C[Si](C)(C)C.
What is the InChIKey of [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane?
The InChIKey is QIBKNGWPHZJTTM-HUCDKZRJSA-N. The full InChI is InChI=1S/C19H30Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h6-7,9-10,12-13,15-16H,5,8,11,14,17H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/i5D2,8D2,11D2,14D2,17D2.
What are the key properties of [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane?
[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane has a molecular weight of 296.60 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane is sourced from PubChem (CID 156679715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).