2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine

C12H22OSi — CID 11344864

IUPAC2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
SMILESC=C(C)CC1CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3
InChIKeyHJQZFXYFOCWMSS-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.89
Rot. Bonds2

About 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine

2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine (PubChem CID 11344864) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine.

Molecular Properties

Compound Name2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
PubChem CID11344864
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
SMILESC=C(C)CC1CC(C)=CC[Si](C)(C)O1
InChIInChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3
InChIKeyHJQZFXYFOCWMSS-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The IUPAC name of 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine (CID 11344864) is 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine.
What is the SMILES notation for 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The canonical SMILES for 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine is C=C(C)CC1CC(C)=CC[Si](C)(C)O1.
What is the InChIKey of 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
The InChIKey is HJQZFXYFOCWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-10(2)8-12-9-11(3)6-7-14(4,5)13-12/h6,12H,1,7-9H2,2-5H3.
What are the key properties of 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine?
2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine has a molecular weight of 210.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine is sourced from PubChem (CID 11344864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).