2-methyloxasilinane;toluene

C12H20OSi — CID 174549211

IUPAC2-methyloxasilinane;toluene
SMILESC[SiH]1CCCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H12OSi/c2*1-7-5-3-2-4-6-7/h2-6H,1H3;7H,2-5H2,1H3
InChIKeyDIAWEQHEYDLHAL-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.15
Rot. Bonds

About 2-methyloxasilinane;toluene

2-methyloxasilinane;toluene (PubChem CID 174549211) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 2-methyloxasilinane;toluene.

Molecular Properties

Compound Name2-methyloxasilinane;toluene
PubChem CID174549211
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name2-methyloxasilinane;toluene
SMILESC[SiH]1CCCCO1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H12OSi/c2*1-7-5-3-2-4-6-7/h2-6H,1H3;7H,2-5H2,1H3
InChIKeyDIAWEQHEYDLHAL-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxasilinane;toluene?
The IUPAC name of 2-methyloxasilinane;toluene (CID 174549211) is 2-methyloxasilinane;toluene.
What is the SMILES notation for 2-methyloxasilinane;toluene?
The canonical SMILES for 2-methyloxasilinane;toluene is C[SiH]1CCCCO1.Cc1ccccc1.
What is the InChIKey of 2-methyloxasilinane;toluene?
The InChIKey is DIAWEQHEYDLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H12OSi/c2*1-7-5-3-2-4-6-7/h2-6H,1H3;7H,2-5H2,1H3.
What are the key properties of 2-methyloxasilinane;toluene?
2-methyloxasilinane;toluene has a molecular weight of 208.38 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxasilinane;toluene is sourced from PubChem (CID 174549211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).