4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C18H24S2 — CID 176857864

IUPAC4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCC1c2cc(C(C)C)sc2-c2sc(C(C)C)cc21
InChIInChI=1S/C18H24S2/c1-6-7-12-13-8-15(10(2)3)19-17(13)18-14(12)9-16(20-18)11(4)5/h8-12H,6-7H2,1-5H3
InChIKeyWIADUNCGPJITDU-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.97
Rot. Bonds4

About 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 176857864) has the molecular formula C18H24S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID176857864
Molecular FormulaC18H24S2
Molecular Weight304.52 g/mol
Exact Mass304.13
IUPAC Name4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCC1c2cc(C(C)C)sc2-c2sc(C(C)C)cc21
InChIInChI=1S/C18H24S2/c1-6-7-12-13-8-15(10(2)3)19-17(13)18-14(12)9-16(20-18)11(4)5/h8-12H,6-7H2,1-5H3
InChIKeyWIADUNCGPJITDU-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 176857864) is 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CCCC1c2cc(C(C)C)sc2-c2sc(C(C)C)cc21.
What is the InChIKey of 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is WIADUNCGPJITDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24S2/c1-6-7-12-13-8-15(10(2)3)19-17(13)18-14(12)9-16(20-18)11(4)5/h8-12H,6-7H2,1-5H3.
What are the key properties of 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 304.52 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-di(propan-2-yl)-7-propyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 176857864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).