2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline

C18H22O5Si — CID 70926351

IUPAC2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
SMILESCOc1cc2c(cc1OC)[Si](C)(C)c1cc(OC)c(OC)cc1O2
InChIInChI=1S/C18H22O5Si/c1-19-11-7-15-17(9-13(11)21-3)24(5,6)18-10-14(22-4)12(20-2)8-16(18)23-15/h7-10H,1-6H3
InChIKeyXNYIHWSVTRFLCN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.65
Rot. Bonds4

About 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline

2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline (PubChem CID 70926351) has the molecular formula C18H22O5Si and a molecular weight of 346.46 g/mol. Its IUPAC name is 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline.

Molecular Properties

Compound Name2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
PubChem CID70926351
Molecular FormulaC18H22O5Si
Molecular Weight346.46 g/mol
Exact Mass346.12
IUPAC Name2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
SMILESCOc1cc2c(cc1OC)[Si](C)(C)c1cc(OC)c(OC)cc1O2
InChIInChI=1S/C18H22O5Si/c1-19-11-7-15-17(9-13(11)21-3)24(5,6)18-10-14(22-4)12(20-2)8-16(18)23-15/h7-10H,1-6H3
InChIKeyXNYIHWSVTRFLCN-UHFFFAOYSA-N
XLogP2.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline?
The IUPAC name of 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline (CID 70926351) is 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline.
What is the SMILES notation for 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline?
The canonical SMILES for 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline is COc1cc2c(cc1OC)[Si](C)(C)c1cc(OC)c(OC)cc1O2.
What is the InChIKey of 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline?
The InChIKey is XNYIHWSVTRFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5Si/c1-19-11-7-15-17(9-13(11)21-3)24(5,6)18-10-14(22-4)12(20-2)8-16(18)23-15/h7-10H,1-6H3.
What are the key properties of 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline?
2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline has a molecular weight of 346.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline is sourced from PubChem (CID 70926351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).