3,3-dimethyl-6-trimethylsilylhex-5-ynal

C11H20OSi — CID 10679420

IUPAC3,3-dimethyl-6-trimethylsilylhex-5-ynal
SMILESCC(C)(CC#C[Si](C)(C)C)CC=O
InChIInChI=1S/C11H20OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h9H,7-8H2,1-5H3
InChIKeyDTYGQGPGEDGSJS-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.87
Rot. Bonds3

About 3,3-dimethyl-6-trimethylsilylhex-5-ynal

3,3-dimethyl-6-trimethylsilylhex-5-ynal (PubChem CID 10679420) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 3,3-dimethyl-6-trimethylsilylhex-5-ynal.

Molecular Properties

Compound Name3,3-dimethyl-6-trimethylsilylhex-5-ynal
PubChem CID10679420
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name3,3-dimethyl-6-trimethylsilylhex-5-ynal
SMILESCC(C)(CC#C[Si](C)(C)C)CC=O
InChIInChI=1S/C11H20OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h9H,7-8H2,1-5H3
InChIKeyDTYGQGPGEDGSJS-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.87
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 3,3-dimethyl-6-trimethylsilylhex-5-ynal?
The IUPAC name of 3,3-dimethyl-6-trimethylsilylhex-5-ynal (CID 10679420) is 3,3-dimethyl-6-trimethylsilylhex-5-ynal.
What is the SMILES notation for 3,3-dimethyl-6-trimethylsilylhex-5-ynal?
The canonical SMILES for 3,3-dimethyl-6-trimethylsilylhex-5-ynal is CC(C)(CC#C[Si](C)(C)C)CC=O.
What is the InChIKey of 3,3-dimethyl-6-trimethylsilylhex-5-ynal?
The InChIKey is DTYGQGPGEDGSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(2,8-9-12)7-6-10-13(3,4)5/h9H,7-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-6-trimethylsilylhex-5-ynal?
3,3-dimethyl-6-trimethylsilylhex-5-ynal has a molecular weight of 196.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-trimethylsilylhex-5-ynal is sourced from PubChem (CID 10679420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).