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

C25H20S2Si — CID 58411078

IUPAC5,17-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
SMILESC[Si](C)(C)c1cc2cc3ccc4c5cc6sccc6cc5ccc4c3cc2s1
InChIInChI=1S/C25H20S2Si/c1-28(2,3)25-12-18-11-16-5-7-19-20(22(16)14-24(18)27-25)6-4-15-10-17-8-9-26-23(17)13-21(15)19/h4-14H,1-3H3
InChIKeyLQZWOLLSYKDRKU-UHFFFAOYSA-N
MW412.66 g/mol
LogP8.12
Rot. Bonds1

About 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

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 (PubChem CID 58411078) has the molecular formula C25H20S2Si and a molecular weight of 412.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,17-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
PubChem CID58411078
Molecular FormulaC25H20S2Si
Molecular Weight412.66 g/mol
Exact Mass412.08
IUPAC Name5,17-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
SMILESC[Si](C)(C)c1cc2cc3ccc4c5cc6sccc6cc5ccc4c3cc2s1
InChIInChI=1S/C25H20S2Si/c1-28(2,3)25-12-18-11-16-5-7-19-20(22(16)14-24(18)27-25)6-4-15-10-17-8-9-26-23(17)13-21(15)19/h4-14H,1-3H3
InChIKeyLQZWOLLSYKDRKU-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 58.12
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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)c1cc2cc3ccc4c5cc6sccc6cc5ccc4c3cc2s1.
What is the InChIKey of 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?
The InChIKey is LQZWOLLSYKDRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20S2Si/c1-28(2,3)25-12-18-11-16-5-7-19-20(22(16)14-24(18)27-25)6-4-15-10-17-8-9-26-23(17)13-21(15)19/h4-14H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 412.66 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58411078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).