5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole

C30H46O2Si2 — CID 11260447

IUPAC5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole
SMILESCCCCc1c(-c2ccccc2)c2c(c3c1[Si](C(C)C)(C(C)C)OC3)[Si](C(C)C)(C(C)C)OC2
InChIInChI=1S/C30H46O2Si2/c1-10-11-17-25-28(24-15-13-12-14-16-24)26-18-31-34(22(6)7,23(8)9)30(26)27-19-32-33(20(2)3,21(4)5)29(25)27/h12-16,20-23H,10-11,17-19H2,1-9H3
InChIKeyCBZPTFHTNDHMMV-UHFFFAOYSA-N
MW494.87 g/mol
LogP7.70
Rot. Bonds8

About 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole

5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole (PubChem CID 11260447) has the molecular formula C30H46O2Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole.

Molecular Properties

Compound Name5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole
PubChem CID11260447
Molecular FormulaC30H46O2Si2
Molecular Weight494.87 g/mol
Exact Mass494.30
IUPAC Name5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole
SMILESCCCCc1c(-c2ccccc2)c2c(c3c1[Si](C(C)C)(C(C)C)OC3)[Si](C(C)C)(C(C)C)OC2
InChIInChI=1S/C30H46O2Si2/c1-10-11-17-25-28(24-15-13-12-14-16-24)26-18-31-34(22(6)7,23(8)9)30(26)27-19-32-33(20(2)3,21(4)5)29(25)27/h12-16,20-23H,10-11,17-19H2,1-9H3
InChIKeyCBZPTFHTNDHMMV-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.87
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole 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 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole?
The IUPAC name of 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole (CID 11260447) is 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole.
What is the SMILES notation for 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole?
The canonical SMILES for 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole is CCCCc1c(-c2ccccc2)c2c(c3c1[Si](C(C)C)(C(C)C)OC3)[Si](C(C)C)(C(C)C)OC2.
What is the InChIKey of 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole?
The InChIKey is CBZPTFHTNDHMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2Si2/c1-10-11-17-25-28(24-15-13-12-14-16-24)26-18-31-34(22(6)7,23(8)9)30(26)27-19-32-33(20(2)3,21(4)5)29(25)27/h12-16,20-23H,10-11,17-19H2,1-9H3.
What are the key properties of 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole?
5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole has a molecular weight of 494.87 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole is sourced from PubChem (CID 11260447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).