[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane

C34H56S2Si2 — CID 10507552

IUPAC[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane
SMILESCSC1Cc2cc(C(C)(C)C)cc(c2C[Si](C)(C)C)CC(SC)c2cc(C(C)(C)C)cc1c2C[Si](C)(C)C
InChIInChI=1S/C34H56S2Si2/c1-33(2,3)25-15-23-17-31(35-7)27-19-26(34(4,5)6)20-28(30(27)22-38(12,13)14)32(36-8)18-24(16-25)29(23)21-37(9,10)11/h15-16,19-20,31-32H,17-18,21-22H2,1-14H3
InChIKeyYIXZPQVBXDPBAL-UHFFFAOYSA-N
MW585.13 g/mol
LogP10.73
Rot. Bonds6

About [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane

[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane (PubChem CID 10507552) has the molecular formula C34H56S2Si2 and a molecular weight of 585.13 g/mol. Its IUPAC name is [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane.

Molecular Properties

Compound Name[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane
PubChem CID10507552
Molecular FormulaC34H56S2Si2
Molecular Weight585.13 g/mol
Exact Mass584.34
IUPAC Name[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane
SMILESCSC1Cc2cc(C(C)(C)C)cc(c2C[Si](C)(C)C)CC(SC)c2cc(C(C)(C)C)cc1c2C[Si](C)(C)C
InChIInChI=1S/C34H56S2Si2/c1-33(2,3)25-15-23-17-31(35-7)27-19-26(34(4,5)6)20-28(30(27)22-38(12,13)14)32(36-8)18-24(16-25)29(23)21-37(9,10)11/h15-16,19-20,31-32H,17-18,21-22H2,1-14H3
InChIKeyYIXZPQVBXDPBAL-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.13
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane?
The IUPAC name of [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane (CID 10507552) is [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane.
What is the SMILES notation for [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane?
The canonical SMILES for [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane is CSC1Cc2cc(C(C)(C)C)cc(c2C[Si](C)(C)C)CC(SC)c2cc(C(C)(C)C)cc1c2C[Si](C)(C)C.
What is the InChIKey of [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane?
The InChIKey is YIXZPQVBXDPBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56S2Si2/c1-33(2,3)25-15-23-17-31(35-7)27-19-26(34(4,5)6)20-28(30(27)22-38(12,13)14)32(36-8)18-24(16-25)29(23)21-37(9,10)11/h15-16,19-20,31-32H,17-18,21-22H2,1-14H3.
What are the key properties of [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane?
[6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane has a molecular weight of 585.13 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,13-ditert-butyl-2,10-bis(methylsulfanyl)-16-(trimethylsilylmethyl)-15-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaenyl]methyl-trimethylsilane is sourced from PubChem (CID 10507552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).