9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

C28H38S2Si2 — CID 176857478

IUPAC9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESCC[Si]1(CC)c2cc3c(cc2-c2sc(C(C)C)cc21)[Si](CC)(CC)c1cc(C(C)C)sc1-3
InChIInChI=1S/C28H38S2Si2/c1-9-31(10-2)23-13-20-24(14-19(23)27-25(31)15-21(29-27)17(5)6)32(11-3,12-4)26-16-22(18(7)8)30-28(20)26/h13-18H,9-12H2,1-8H3
InChIKeyAZCLJEWGBLQHDO-UHFFFAOYSA-N
MW494.92 g/mol
LogP7.22
Rot. Bonds6

About 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene

9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (PubChem CID 176857478) has the molecular formula C28H38S2Si2 and a molecular weight of 494.92 g/mol. Its IUPAC name is 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.

Molecular Properties

Compound Name9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
PubChem CID176857478
Molecular FormulaC28H38S2Si2
Molecular Weight494.92 g/mol
Exact Mass494.20
IUPAC Name9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
SMILESCC[Si]1(CC)c2cc3c(cc2-c2sc(C(C)C)cc21)[Si](CC)(CC)c1cc(C(C)C)sc1-3
InChIInChI=1S/C28H38S2Si2/c1-9-31(10-2)23-13-20-24(14-19(23)27-25(31)15-21(29-27)17(5)6)32(11-3,12-4)26-16-22(18(7)8)30-28(20)26/h13-18H,9-12H2,1-8H3
InChIKeyAZCLJEWGBLQHDO-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.92
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The IUPAC name of 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene (CID 176857478) is 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene.
What is the SMILES notation for 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The canonical SMILES for 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is CC[Si]1(CC)c2cc3c(cc2-c2sc(C(C)C)cc21)[Si](CC)(CC)c1cc(C(C)C)sc1-3.
What is the InChIKey of 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
The InChIKey is AZCLJEWGBLQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38S2Si2/c1-9-31(10-2)23-13-20-24(14-19(23)27-25(31)15-21(29-27)17(5)6)32(11-3,12-4)26-16-22(18(7)8)30-28(20)26/h13-18H,9-12H2,1-8H3.
What are the key properties of 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene?
9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene has a molecular weight of 494.92 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,18,18-tetraethyl-6,15-di(propan-2-yl)-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene is sourced from PubChem (CID 176857478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).