2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline

C9H13NOSi — CID 123944874

IUPAC2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline
SMILESC[Si]1(C)CNc2ccccc2O1
InChIInChI=1S/C9H13NOSi/c1-12(2)7-10-8-5-3-4-6-9(8)11-12/h3-6,10H,7H2,1-2H3
InChIKeyGKMCMGKDGHHTSW-UHFFFAOYSA-N
MW179.30 g/mol
LogP2.24
Rot. Bonds

About 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline

2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline (PubChem CID 123944874) has the molecular formula C9H13NOSi and a molecular weight of 179.30 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline
PubChem CID123944874
Molecular FormulaC9H13NOSi
Molecular Weight179.30 g/mol
Exact Mass179.08
IUPAC Name2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline
SMILESC[Si]1(C)CNc2ccccc2O1
InChIInChI=1S/C9H13NOSi/c1-12(2)7-10-8-5-3-4-6-9(8)11-12/h3-6,10H,7H2,1-2H3
InChIKeyGKMCMGKDGHHTSW-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline?
The IUPAC name of 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline (CID 123944874) is 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline?
The canonical SMILES for 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline is C[Si]1(C)CNc2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline?
The InChIKey is GKMCMGKDGHHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOSi/c1-12(2)7-10-8-5-3-4-6-9(8)11-12/h3-6,10H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline?
2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline has a molecular weight of 179.30 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydro-1,4,2-benzoxazasiline is sourced from PubChem (CID 123944874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).