9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene

C26H38Si — CID 166441909

IUPAC9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene
SMILESCC1C2C=CC=CC2C2C3C4C=CC=CC4C(C)C3[Si](C(C)C)(C(C)C)C12
InChIInChI=1S/C26H38Si/c1-15(2)27(16(3)4)25-17(5)19-11-7-9-13-21(19)23(25)24-22-14-10-8-12-20(22)18(6)26(24)27/h7-26H,1-6H3
InChIKeyIBCGHKACPYFNNJ-UHFFFAOYSA-N
MW378.68 g/mol
LogP7.26
Rot. Bonds2

About 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene

9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene (PubChem CID 166441909) has the molecular formula C26H38Si and a molecular weight of 378.68 g/mol. Its IUPAC name is 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene.

Molecular Properties

Compound Name9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene
PubChem CID166441909
Molecular FormulaC26H38Si
Molecular Weight378.68 g/mol
Exact Mass378.27
IUPAC Name9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene
SMILESCC1C2C=CC=CC2C2C3C4C=CC=CC4C(C)C3[Si](C(C)C)(C(C)C)C12
InChIInChI=1S/C26H38Si/c1-15(2)27(16(3)4)25-17(5)19-11-7-9-13-21(19)23(25)24-22-14-10-8-12-20(22)18(6)26(24)27/h7-26H,1-6H3
InChIKeyIBCGHKACPYFNNJ-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene?
The IUPAC name of 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene (CID 166441909) is 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene.
What is the SMILES notation for 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene?
The canonical SMILES for 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene is CC1C2C=CC=CC2C2C3C4C=CC=CC4C(C)C3[Si](C(C)C)(C(C)C)C12.
What is the InChIKey of 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene?
The InChIKey is IBCGHKACPYFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si/c1-15(2)27(16(3)4)25-17(5)19-11-7-9-13-21(19)23(25)24-22-14-10-8-12-20(22)18(6)26(24)27/h7-26H,1-6H3.
What are the key properties of 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene?
9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene has a molecular weight of 378.68 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-dimethyl-11,11-di(propan-2-yl)-11-silapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-4,6,15,17-tetraene is sourced from PubChem (CID 166441909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).