4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene

C24H48Si6 — CID 102585576

IUPAC4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene
SMILESC[Si]1(C)CC[Si](C)(C)C2=C3C4=C([Si](C)(C)CC[Si](C)(C)C4=C31)[Si](C)(C)CC[Si]2(C)C
InChIInChI=1S/C24H48Si6/c1-25(2)13-15-27(5,6)23-19-20-22(21(19)25)26(3,4)14-16-28(7,8)24(20)30(11,12)18-17-29(23,9)10/h13-18H2,1-12H3
InChIKeyLCHOIAQBZTVVEF-UHFFFAOYSA-N
MW505.16 g/mol
LogP8.42
Rot. Bonds

About 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene

4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene (PubChem CID 102585576) has the molecular formula C24H48Si6 and a molecular weight of 505.16 g/mol. Its IUPAC name is 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene.

Molecular Properties

Compound Name4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene
PubChem CID102585576
Molecular FormulaC24H48Si6
Molecular Weight505.16 g/mol
Exact Mass504.24
IUPAC Name4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene
SMILESC[Si]1(C)CC[Si](C)(C)C2=C3C4=C([Si](C)(C)CC[Si](C)(C)C4=C31)[Si](C)(C)CC[Si]2(C)C
InChIInChI=1S/C24H48Si6/c1-25(2)13-15-27(5,6)23-19-20-22(21(19)25)26(3,4)14-16-28(7,8)24(20)30(11,12)18-17-29(23,9)10/h13-18H2,1-12H3
InChIKeyLCHOIAQBZTVVEF-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.16
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene?
The IUPAC name of 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene (CID 102585576) is 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene.
What is the SMILES notation for 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene?
The canonical SMILES for 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene is C[Si]1(C)CC[Si](C)(C)C2=C3C4=C([Si](C)(C)CC[Si](C)(C)C4=C31)[Si](C)(C)CC[Si]2(C)C.
What is the InChIKey of 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene?
The InChIKey is LCHOIAQBZTVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48Si6/c1-25(2)13-15-27(5,6)23-19-20-22(21(19)25)26(3,4)14-16-28(7,8)24(20)30(11,12)18-17-29(23,9)10/h13-18H2,1-12H3.
What are the key properties of 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene?
4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene has a molecular weight of 505.16 g/mol, XLogP of 8.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7,9,9,12,12,14,14,17,17-dodecamethyl-4,7,9,12,14,17-hexasilatetracyclo[11.5.0.02,8.03,18]octadeca-1(13),2(8),3(18)-triene is sourced from PubChem (CID 102585576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).