triethyl-(18-triethylsilyl-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)silane

C34H40S2Si2 — CID 58410896

IUPACtriethyl-(18-triethylsilyl-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)silane
SMILESCC[Si](CC)(CC)c1cc2cc3ccc4c5cc6sc([Si](CC)(CC)CC)cc6cc5ccc4c3cc2s1
InChIInChI=1S/C34H40S2Si2/c1-7-37(8-2,9-3)33-19-25-17-23-13-15-28-27(29(23)21-31(25)35-33)16-14-24-18-26-20-34(36-32(26)22-30(24)28)38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyUZIIOQMSQDQWHY-UHFFFAOYSA-N
MW569.00 g/mol
LogP11.01
Rot. Bonds8

About triethyl-(18-triethylsilyl-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)silane

triethyl-(18-triethylsilyl-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)silane (PubChem CID 58410896) has the molecular formula C34H40S2Si2 and a molecular weight of 569.00 g/mol. Its IUPAC name is triethyl-(18-triethylsilyl-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)silane.

Molecular Properties

Compound Nametriethyl-(18-triethylsilyl-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)silane
PubChem CID58410896
Molecular FormulaC34H40S2Si2
Molecular Weight569.00 g/mol
Exact Mass568.21
IUPAC Nametriethyl-(18-triethylsilyl-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)silane
SMILESCC[Si](CC)(CC)c1cc2cc3ccc4c5cc6sc([Si](CC)(CC)CC)cc6cc5ccc4c3cc2s1
InChIInChI=1S/C34H40S2Si2/c1-7-37(8-2,9-3)33-19-25-17-23-13-15-28-27(29(23)21-31(25)35-33)16-14-24-18-26-20-34(36-32(26)22-30(24)28)38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3
InChIKeyUZIIOQMSQDQWHY-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.00
LogP ≤ 511.01
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'}

Analyze triethyl-(18-triethylsilyl-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)silane with MolForge

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Related Compounds

1-benzothiophen-2-yl(triethyl)silane
CID 102477924
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(trimethyl)silane
CID 58411078
triethyl-(9-triethylsilylchrysen-3-yl)silane
CID 58362227
6,18-di(undecyl)-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-undecaene
CID 58411231
6,18-didodecyl-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-undecaene
CID 58410775
6,17-bis(5-methylthiophen-2-yl)-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
CID 122645046
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
6,18-didecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411235
6,18-di(undecyl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411074
19-dodecyl-20-thiahexacyclo[12.11.0.02,11.04,9.015,23.017,21]pentacosa-1(14),2,4,6,8,10,12,15,17(21),18,22,24-dodecaene
CID 58411035
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
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-undecaene
CID 58410946

Frequently Asked Questions

What is the IUPAC name of triethyl-(18-triethylsilyl-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)silane?
The IUPAC name of triethyl-(18-triethylsilyl-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)silane (CID 58410896) is triethyl-(18-triethylsilyl-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)silane.
What is the SMILES notation for triethyl-(18-triethylsilyl-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)silane?
The canonical SMILES for triethyl-(18-triethylsilyl-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)silane is CC[Si](CC)(CC)c1cc2cc3ccc4c5cc6sc([Si](CC)(CC)CC)cc6cc5ccc4c3cc2s1.
What is the InChIKey of triethyl-(18-triethylsilyl-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)silane?
The InChIKey is UZIIOQMSQDQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40S2Si2/c1-7-37(8-2,9-3)33-19-25-17-23-13-15-28-27(29(23)21-31(25)35-33)16-14-24-18-26-20-34(36-32(26)22-30(24)28)38(10-4,11-5)12-6/h13-22H,7-12H2,1-6H3.
What are the key properties of triethyl-(18-triethylsilyl-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)silane?
triethyl-(18-triethylsilyl-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)silane has a molecular weight of 569.00 g/mol, XLogP of 11.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(18-triethylsilyl-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)silane is sourced from PubChem (CID 58410896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).