3-trimethylsilylhex-4-enal

C9H18OSi — CID 71323857

IUPAC3-trimethylsilylhex-4-enal
SMILESCC=CC(CC=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyBBYOYEPRLFZSAZ-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.86
Rot. Bonds4

About 3-trimethylsilylhex-4-enal

3-trimethylsilylhex-4-enal (PubChem CID 71323857) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is 3-trimethylsilylhex-4-enal.

Molecular Properties

Compound Name3-trimethylsilylhex-4-enal
PubChem CID71323857
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name3-trimethylsilylhex-4-enal
SMILESCC=CC(CC=O)[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyBBYOYEPRLFZSAZ-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.86
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-trimethylsilylhex-4-enal 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 3-trimethylsilylhex-4-enal?
The IUPAC name of 3-trimethylsilylhex-4-enal (CID 71323857) is 3-trimethylsilylhex-4-enal.
What is the SMILES notation for 3-trimethylsilylhex-4-enal?
The canonical SMILES for 3-trimethylsilylhex-4-enal is CC=CC(CC=O)[Si](C)(C)C.
What is the InChIKey of 3-trimethylsilylhex-4-enal?
The InChIKey is BBYOYEPRLFZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-5-6-9(7-8-10)11(2,3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-trimethylsilylhex-4-enal?
3-trimethylsilylhex-4-enal has a molecular weight of 170.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylhex-4-enal is sourced from PubChem (CID 71323857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).