4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene

C21H20Si — CID 171436554

IUPAC4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
SMILESCc1ccc2c(c1)-c1ccccc1[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C21H20Si/c1-15-12-13-16-17-8-4-6-10-20(17)22(2,3)21-11-7-5-9-18(21)19(16)14-15/h4-14H,1-3H3
InChIKeyYESBQGOVFWGLTD-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.47
Rot. Bonds

About 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene

4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene (PubChem CID 171436554) has the molecular formula C21H20Si and a molecular weight of 300.48 g/mol. Its IUPAC name is 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
PubChem CID171436554
Molecular FormulaC21H20Si
Molecular Weight300.48 g/mol
Exact Mass300.13
IUPAC Name4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
SMILESCc1ccc2c(c1)-c1ccccc1[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C21H20Si/c1-15-12-13-16-17-8-4-6-10-20(17)22(2,3)21-11-7-5-9-18(21)19(16)14-15/h4-14H,1-3H3
InChIKeyYESBQGOVFWGLTD-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The IUPAC name of 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene (CID 171436554) is 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene.
What is the SMILES notation for 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The canonical SMILES for 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene is Cc1ccc2c(c1)-c1ccccc1[Si](C)(C)c1ccccc1-2.
What is the InChIKey of 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
The InChIKey is YESBQGOVFWGLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Si/c1-15-12-13-16-17-8-4-6-10-20(17)22(2,3)21-11-7-5-9-18(21)19(16)14-15/h4-14H,1-3H3.
What are the key properties of 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene?
4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene has a molecular weight of 300.48 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14,14-trimethyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene is sourced from PubChem (CID 171436554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).