trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane

C28H34Si2 — CID 10693743

IUPACtrimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane
SMILESC[Si](C)(C)c1c2c(c3c(c1[Si](C)(C)C)CCc1ccccc1-3)-c1ccccc1CC2
InChIInChI=1S/C28H34Si2/c1-29(2,3)27-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)28(27)30(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyJFYRUUCYAZJCRW-UHFFFAOYSA-N
MW426.75 g/mol
LogP6.31
Rot. Bonds2

About trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane

trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane (PubChem CID 10693743) has the molecular formula C28H34Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane.

Molecular Properties

Compound Nametrimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane
PubChem CID10693743
Molecular FormulaC28H34Si2
Molecular Weight426.75 g/mol
Exact Mass426.22
IUPAC Nametrimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane
SMILESC[Si](C)(C)c1c2c(c3c(c1[Si](C)(C)C)CCc1ccccc1-3)-c1ccccc1CC2
InChIInChI=1S/C28H34Si2/c1-29(2,3)27-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)28(27)30(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyJFYRUUCYAZJCRW-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 56.31
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 trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane?
The IUPAC name of trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane (CID 10693743) is trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane.
What is the SMILES notation for trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane?
The canonical SMILES for trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane is C[Si](C)(C)c1c2c(c3c(c1[Si](C)(C)C)CCc1ccccc1-3)-c1ccccc1CC2.
What is the InChIKey of trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane?
The InChIKey is JFYRUUCYAZJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Si2/c1-29(2,3)27-23-17-15-19-11-7-9-13-21(19)25(23)26-22-14-10-8-12-20(22)16-18-24(26)28(27)30(4,5)6/h7-14H,15-18H2,1-6H3.
What are the key properties of trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane?
trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane has a molecular weight of 426.75 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(13-trimethylsilyl-12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaenyl)silane is sourced from PubChem (CID 10693743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).