2-trimethylsilylhex-5-ynal

C9H16OSi — CID 145156781

IUPAC2-trimethylsilylhex-5-ynal
SMILESC#CCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-7-9(8-10)11(2,3)4/h1,8-9H,6-7H2,2-4H3
InChIKeyGUTSGBIKXGELBH-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.31
Rot. Bonds4

About 2-trimethylsilylhex-5-ynal

2-trimethylsilylhex-5-ynal (PubChem CID 145156781) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-trimethylsilylhex-5-ynal.

Molecular Properties

Compound Name2-trimethylsilylhex-5-ynal
PubChem CID145156781
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-trimethylsilylhex-5-ynal
SMILESC#CCCC(C=O)[Si](C)(C)C
InChIInChI=1S/C9H16OSi/c1-5-6-7-9(8-10)11(2,3)4/h1,8-9H,6-7H2,2-4H3
InChIKeyGUTSGBIKXGELBH-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.31
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'}

Analyze 2-trimethylsilylhex-5-ynal with MolForge

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

Launch Full Analysis

Related Compounds

3-Trimethylsilylpentanal
CID 12824378
4-Pentynal, 5-(trimethylsilyl)-
CID 10888132
5-(Triisopropylsilyl)pent-4-ynal
CID 42636688
5-Hexynal, 6-(trimethylsilyl)-
CID 11116456
8-Trimethylsilyloct-6-ynal
CID 10512108
5-[Tert-butyl(dimethyl)silyl]pent-4-ynal
CID 10932387
(3S)-3-methyl-6-trimethylsilylhex-5-ynal
CID 11513871
1-Tri(propan-2-yl)silylhex-5-yn-1-one
CID 11780006
7-Triethylsilylhepta-4,6-diynal
CID 135086220
7-[Tert-butyl(dimethyl)silyl]hept-6-ynal
CID 162417595
(3R)-3-trimethylsilylpentanal
CID 642567
7-(Trimethylsilyl)hept-6-ynal
CID 14809950

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylhex-5-ynal?
The IUPAC name of 2-trimethylsilylhex-5-ynal (CID 145156781) is 2-trimethylsilylhex-5-ynal.
What is the SMILES notation for 2-trimethylsilylhex-5-ynal?
The canonical SMILES for 2-trimethylsilylhex-5-ynal is C#CCCC(C=O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylhex-5-ynal?
The InChIKey is GUTSGBIKXGELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-6-7-9(8-10)11(2,3)4/h1,8-9H,6-7H2,2-4H3.
What are the key properties of 2-trimethylsilylhex-5-ynal?
2-trimethylsilylhex-5-ynal has a molecular weight of 168.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylhex-5-ynal is sourced from PubChem (CID 145156781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).