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

C10H16OSi — CID 10932038

IUPAC(E)-7-trimethylsilylhept-4-en-6-ynal
SMILESC[Si](C)(C)C#C/C=C/CCC=O
InChIInChI=1S/C10H16OSi/c1-12(2,3)10-8-6-4-5-7-9-11/h4,6,9H,5,7H2,1-3H3/b6-4+
InChIKeyVSQSLYIYPWDSAK-GQCTYLIASA-N
MW180.32 g/mol
LogP2.40
Rot. Bonds3

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

(E)-7-trimethylsilylhept-4-en-6-ynal (PubChem CID 10932038) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is (E)-7-trimethylsilylhept-4-en-6-ynal.

Molecular Properties

Compound Name(E)-7-trimethylsilylhept-4-en-6-ynal
PubChem CID10932038
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name(E)-7-trimethylsilylhept-4-en-6-ynal
SMILESC[Si](C)(C)C#C/C=C/CCC=O
InChIInChI=1S/C10H16OSi/c1-12(2,3)10-8-6-4-5-7-9-11/h4,6,9H,5,7H2,1-3H3/b6-4+
InChIKeyVSQSLYIYPWDSAK-GQCTYLIASA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-7-trimethylsilylhept-4-en-6-ynal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-7-trimethylsilylhept-4-en-6-ynal?
The IUPAC name of (E)-7-trimethylsilylhept-4-en-6-ynal (CID 10932038) is (E)-7-trimethylsilylhept-4-en-6-ynal.
What is the SMILES notation for (E)-7-trimethylsilylhept-4-en-6-ynal?
The canonical SMILES for (E)-7-trimethylsilylhept-4-en-6-ynal is C[Si](C)(C)C#C/C=C/CCC=O.
What is the InChIKey of (E)-7-trimethylsilylhept-4-en-6-ynal?
The InChIKey is VSQSLYIYPWDSAK-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16OSi/c1-12(2,3)10-8-6-4-5-7-9-11/h4,6,9H,5,7H2,1-3H3/b6-4+.
What are the key properties of (E)-7-trimethylsilylhept-4-en-6-ynal?
(E)-7-trimethylsilylhept-4-en-6-ynal has a molecular weight of 180.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-trimethylsilylhept-4-en-6-ynal is sourced from PubChem (CID 10932038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).