3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene

C22H20S2Si2 — CID 123453446

IUPAC3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
SMILESC[Si]1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1[Si]4(C)C
InChIInChI=1S/C22H20S2Si2/c1-25(2)15-11-7-5-9-13(15)17-21(25)19-20(23-17)22-18(24-19)14-10-6-8-12-16(14)26(22,3)4/h5-12H,1-4H3
InChIKeyHKUYGWGZZYOCCM-UHFFFAOYSA-N
MW404.71 g/mol
LogP4.57
Rot. Bonds

About 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene

3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene (PubChem CID 123453446) has the molecular formula C22H20S2Si2 and a molecular weight of 404.71 g/mol. Its IUPAC name is 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
PubChem CID123453446
Molecular FormulaC22H20S2Si2
Molecular Weight404.71 g/mol
Exact Mass404.05
IUPAC Name3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
SMILESC[Si]1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1[Si]4(C)C
InChIInChI=1S/C22H20S2Si2/c1-25(2)15-11-7-5-9-13(15)17-21(25)19-20(23-17)22-18(24-19)14-10-6-8-12-16(14)26(22,3)4/h5-12H,1-4H3
InChIKeyHKUYGWGZZYOCCM-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.71
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The IUPAC name of 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene (CID 123453446) is 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene.
What is the SMILES notation for 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The canonical SMILES for 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene is C[Si]1(C)c2ccccc2-c2sc3c4c(sc3c21)-c1ccccc1[Si]4(C)C.
What is the InChIKey of 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
The InChIKey is HKUYGWGZZYOCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20S2Si2/c1-25(2)15-11-7-5-9-13(15)17-21(25)19-20(23-17)22-18(24-19)14-10-6-8-12-16(14)26(22,3)4/h5-12H,1-4H3.
What are the key properties of 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene?
3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene has a molecular weight of 404.71 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,14,14-tetramethyl-11,22-dithia-3,14-disilahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene is sourced from PubChem (CID 123453446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).