2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole

C9H16OSi — CID 86073969

IUPAC2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole
SMILESC=C(C)C1O[Si](C)(C)C=C1C
InChIInChI=1S/C9H16OSi/c1-7(2)9-8(3)6-11(4,5)10-9/h6,9H,1H2,2-5H3
InChIKeyFTGWJFBUTUPGEW-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.65
Rot. Bonds1

About 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole

2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole (PubChem CID 86073969) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole.

Molecular Properties

Compound Name2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole
PubChem CID86073969
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole
SMILESC=C(C)C1O[Si](C)(C)C=C1C
InChIInChI=1S/C9H16OSi/c1-7(2)9-8(3)6-11(4,5)10-9/h6,9H,1H2,2-5H3
InChIKeyFTGWJFBUTUPGEW-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole 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 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole?
The IUPAC name of 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole (CID 86073969) is 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole.
What is the SMILES notation for 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole?
The canonical SMILES for 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole is C=C(C)C1O[Si](C)(C)C=C1C.
What is the InChIKey of 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole?
The InChIKey is FTGWJFBUTUPGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-7(2)9-8(3)6-11(4,5)10-9/h6,9H,1H2,2-5H3.
What are the key properties of 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole?
2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole has a molecular weight of 168.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5-prop-1-en-2-yl-5H-oxasilole is sourced from PubChem (CID 86073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).