[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane

C12H20Si — CID 13431440

IUPAC[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane
SMILESC=CC/C(=C\C)CC#C[Si](C)(C)C
InChIInChI=1S/C12H20Si/c1-6-9-12(7-2)10-8-11-13(3,4)5/h6-7H,1,9-10H2,2-5H3/b12-7+
InChIKeyHRIRBFCAKCGLQN-KPKJPENVSA-N
MW192.38 g/mol
LogP3.78
Rot. Bonds3

About [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane

[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane (PubChem CID 13431440) has the molecular formula C12H20Si and a molecular weight of 192.38 g/mol. Its IUPAC name is [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane
PubChem CID13431440
Molecular FormulaC12H20Si
Molecular Weight192.38 g/mol
Exact Mass192.13
IUPAC Name[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane
SMILESC=CC/C(=C\C)CC#C[Si](C)(C)C
InChIInChI=1S/C12H20Si/c1-6-9-12(7-2)10-8-11-13(3,4)5/h6-7H,1,9-10H2,2-5H3/b12-7+
InChIKeyHRIRBFCAKCGLQN-KPKJPENVSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.38
LogP ≤ 53.78
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 [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane (CID 13431440) is [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane is C=CC/C(=C\C)CC#C[Si](C)(C)C.
What is the InChIKey of [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane?
The InChIKey is HRIRBFCAKCGLQN-KPKJPENVSA-N. The full InChI is InChI=1S/C12H20Si/c1-6-9-12(7-2)10-8-11-13(3,4)5/h6-7H,1,9-10H2,2-5H3/b12-7+.
What are the key properties of [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane?
[(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane has a molecular weight of 192.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-ethylidenehept-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 13431440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).