5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

C22H36Si2 — CID 101094449

IUPAC5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESCCC(C)C1C=C2C(=C1)[Si](C)(C)C1=CC(C(C)CC)C=C1[Si]2(C)C
InChIInChI=1S/C22H36Si2/c1-9-15(3)17-11-19-20(12-17)24(7,8)22-14-18(16(4)10-2)13-21(22)23(19,5)6/h11-18H,9-10H2,1-8H3
InChIKeyPQYTXJZVMHOIHA-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.63
Rot. Bonds4

About 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene

5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (PubChem CID 101094449) has the molecular formula C22H36Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.

Molecular Properties

Compound Name5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
PubChem CID101094449
Molecular FormulaC22H36Si2
Molecular Weight356.70 g/mol
Exact Mass356.24
IUPAC Name5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
SMILESCCC(C)C1C=C2C(=C1)[Si](C)(C)C1=CC(C(C)CC)C=C1[Si]2(C)C
InChIInChI=1S/C22H36Si2/c1-9-15(3)17-11-19-20(12-17)24(7,8)22-14-18(16(4)10-2)13-21(22)23(19,5)6/h11-18H,9-10H2,1-8H3
InChIKeyPQYTXJZVMHOIHA-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The IUPAC name of 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene (CID 101094449) is 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene.
What is the SMILES notation for 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The canonical SMILES for 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is CCC(C)C1C=C2C(=C1)[Si](C)(C)C1=CC(C(C)CC)C=C1[Si]2(C)C.
What is the InChIKey of 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
The InChIKey is PQYTXJZVMHOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si2/c1-9-15(3)17-11-19-20(12-17)24(7,8)22-14-18(16(4)10-2)13-21(22)23(19,5)6/h11-18H,9-10H2,1-8H3.
What are the key properties of 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene?
5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene has a molecular weight of 356.70 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-di(butan-2-yl)-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene is sourced from PubChem (CID 101094449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).