trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane

C32H28S2Si2 — CID 58411502

IUPACtrimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cc3ccc4c5cc6sc(C#C[Si](C)(C)C)cc6cc5ccc4c3cc2s1
InChIInChI=1S/C32H28S2Si2/c1-35(2,3)13-11-25-17-23-15-21-7-9-28-27(29(21)19-31(23)33-25)10-8-22-16-24-18-26(12-14-36(4,5)6)34-32(24)20-30(22)28/h7-10,15-20H,1-6H3
InChIKeySJHRJZHYGGUAOP-UHFFFAOYSA-N
MW532.88 g/mol
LogP10.03
Rot. Bonds

About trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane

trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane (PubChem CID 58411502) has the molecular formula C32H28S2Si2 and a molecular weight of 532.88 g/mol. Its IUPAC name is trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane
PubChem CID58411502
Molecular FormulaC32H28S2Si2
Molecular Weight532.88 g/mol
Exact Mass532.12
IUPAC Nametrimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cc2cc3ccc4c5cc6sc(C#C[Si](C)(C)C)cc6cc5ccc4c3cc2s1
InChIInChI=1S/C32H28S2Si2/c1-35(2,3)13-11-25-17-23-15-21-7-9-28-27(29(21)19-31(23)33-25)10-8-22-16-24-18-26(12-14-36(4,5)6)34-32(24)20-30(22)28/h7-10,15-20H,1-6H3
InChIKeySJHRJZHYGGUAOP-UHFFFAOYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane (CID 58411502) is trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane is C[Si](C)(C)C#Cc1cc2cc3ccc4c5cc6sc(C#C[Si](C)(C)C)cc6cc5ccc4c3cc2s1.
What is the InChIKey of trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane?
The InChIKey is SJHRJZHYGGUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28S2Si2/c1-35(2,3)13-11-25-17-23-15-21-7-9-28-27(29(21)19-31(23)33-25)10-8-22-16-24-18-26(12-14-36(4,5)6)34-32(24)20-30(22)28/h7-10,15-20H,1-6H3.
What are the key properties of trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane?
trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane has a molecular weight of 532.88 g/mol, XLogP of 10.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[18-(2-trimethylsilylethynyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaen-6-yl]ethynyl]silane is sourced from PubChem (CID 58411502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).