(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal

C11H18OSi — CID 11458236

IUPAC(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal
SMILESCC(/C=C/C#C[Si](C)(C)C)CC=O
InChIInChI=1S/C11H18OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h5,7,9,11H,8H2,1-4H3/b7-5+
InChIKeyCNXLAIIPRNSEEM-FNORWQNLSA-N
MW194.35 g/mol
LogP2.65
Rot. Bonds3

About (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal

(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal (PubChem CID 11458236) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal.

Molecular Properties

Compound Name(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal
PubChem CID11458236
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal
SMILESCC(/C=C/C#C[Si](C)(C)C)CC=O
InChIInChI=1S/C11H18OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h5,7,9,11H,8H2,1-4H3/b7-5+
InChIKeyCNXLAIIPRNSEEM-FNORWQNLSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal?
The IUPAC name of (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal (CID 11458236) is (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal.
What is the SMILES notation for (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal?
The canonical SMILES for (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal is CC(/C=C/C#C[Si](C)(C)C)CC=O.
What is the InChIKey of (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal?
The InChIKey is CNXLAIIPRNSEEM-FNORWQNLSA-N. The full InChI is InChI=1S/C11H18OSi/c1-11(8-9-12)7-5-6-10-13(2,3)4/h5,7,9,11H,8H2,1-4H3/b7-5+.
What are the key properties of (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal?
(E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal has a molecular weight of 194.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-7-trimethylsilylhept-4-en-6-ynal is sourced from PubChem (CID 11458236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).