(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one

C14H14OSSi — CID 11054361

IUPAC(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one
SMILESC[Si](C)(C)C#CC#CC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H14OSSi/c1-17(2,3)12-5-4-7-13(15)9-10-14-8-6-11-16-14/h6,8-11H,1-3H3/b10-9+
InChIKeyLISVEXJVVUKOIG-MDZDMXLPSA-N
MW258.42 g/mol
LogP3.21
Rot. Bonds2

About (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one

(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one (PubChem CID 11054361) has the molecular formula C14H14OSSi and a molecular weight of 258.42 g/mol. Its IUPAC name is (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one.

Molecular Properties

Compound Name(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one
PubChem CID11054361
Molecular FormulaC14H14OSSi
Molecular Weight258.42 g/mol
Exact Mass258.05
IUPAC Name(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one
SMILESC[Si](C)(C)C#CC#CC(=O)/C=C/c1cccs1
InChIInChI=1S/C14H14OSSi/c1-17(2,3)12-5-4-7-13(15)9-10-14-8-6-11-16-14/h6,8-11H,1-3H3/b10-9+
InChIKeyLISVEXJVVUKOIG-MDZDMXLPSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 88528301
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CID 59090948
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CID 14044638
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
trimethyl(2-thiophen-2-ylethenoxy)silane
CID 72819542
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 47028560
(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
CID 10678894
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925
(E)-2-thiophen-2-ylethenol
CID 89297537
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one?
The IUPAC name of (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one (CID 11054361) is (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one.
What is the SMILES notation for (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one?
The canonical SMILES for (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one is C[Si](C)(C)C#CC#CC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one?
The InChIKey is LISVEXJVVUKOIG-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H14OSSi/c1-17(2,3)12-5-4-7-13(15)9-10-14-8-6-11-16-14/h6,8-11H,1-3H3/b10-9+.
What are the key properties of (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one?
(E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one has a molecular weight of 258.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-thiophen-2-yl-7-trimethylsilylhept-1-en-4,6-diyn-3-one is sourced from PubChem (CID 11054361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).