11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

C24H24S2 — CID 130304665

IUPAC11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCC(C)c1cc2cc3c(cc2s1)C(C)c1cc2sc(C(C)C)cc2cc1-3
InChIInChI=1S/C24H24S2/c1-12(2)21-8-15-6-19-17(10-23(15)25-21)14(5)18-11-24-16(7-20(18)19)9-22(26-24)13(3)4/h6-14H,1-5H3
InChIKeyGSFFVSFDLLVWLI-UHFFFAOYSA-N
MW376.59 g/mol
LogP8.49
Rot. Bonds2

About 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (PubChem CID 130304665) has the molecular formula C24H24S2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.

Molecular Properties

Compound Name11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
PubChem CID130304665
Molecular FormulaC24H24S2
Molecular Weight376.59 g/mol
Exact Mass376.13
IUPAC Name11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCC(C)c1cc2cc3c(cc2s1)C(C)c1cc2sc(C(C)C)cc2cc1-3
InChIInChI=1S/C24H24S2/c1-12(2)21-8-15-6-19-17(10-23(15)25-21)14(5)18-11-24-16(7-20(18)19)9-22(26-24)13(3)4/h6-14H,1-5H3
InChIKeyGSFFVSFDLLVWLI-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The IUPAC name of 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (CID 130304665) is 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.
What is the SMILES notation for 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The canonical SMILES for 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is CC(C)c1cc2cc3c(cc2s1)C(C)c1cc2sc(C(C)C)cc2cc1-3.
What is the InChIKey of 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The InChIKey is GSFFVSFDLLVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24S2/c1-12(2)21-8-15-6-19-17(10-23(15)25-21)14(5)18-11-24-16(7-20(18)19)9-22(26-24)13(3)4/h6-14H,1-5H3.
What are the key properties of 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene has a molecular weight of 376.59 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6,16-di(propan-2-yl)-7,15-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is sourced from PubChem (CID 130304665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).