28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene

C34H24 — CID 157108235

IUPAC28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Cc1cc2c4ccccc4c4ccccc4c2cc1-3
InChIInChI=1S/C34H24/c1-34(2)32-14-8-7-13-26(32)31-19-28-21(17-33(31)34)15-20-16-29-24-11-5-3-9-22(24)23-10-4-6-12-25(23)30(29)18-27(20)28/h3-14,16-19H,15H2,1-2H3
InChIKeyZJSLONINFXCNDD-UHFFFAOYSA-N
MW432.57 g/mol
LogP9.02
Rot. Bonds

About 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene

28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene (PubChem CID 157108235) has the molecular formula C34H24 and a molecular weight of 432.57 g/mol. Its IUPAC name is 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene.

Molecular Properties

Compound Name28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
PubChem CID157108235
Molecular FormulaC34H24
Molecular Weight432.57 g/mol
Exact Mass432.19
IUPAC Name28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Cc1cc2c4ccccc4c4ccccc4c2cc1-3
InChIInChI=1S/C34H24/c1-34(2)32-14-8-7-13-26(32)31-19-28-21(17-33(31)34)15-20-16-29-24-11-5-3-9-22(24)23-10-4-6-12-25(23)30(29)18-27(20)28/h3-14,16-19H,15H2,1-2H3
InChIKeyZJSLONINFXCNDD-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene?
The IUPAC name of 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene (CID 157108235) is 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene.
What is the SMILES notation for 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene?
The canonical SMILES for 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene is CC1(C)c2ccccc2-c2cc3c(cc21)Cc1cc2c4ccccc4c4ccccc4c2cc1-3.
What is the InChIKey of 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene?
The InChIKey is ZJSLONINFXCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24/c1-34(2)32-14-8-7-13-26(32)31-19-28-21(17-33(31)34)15-20-16-29-24-11-5-3-9-22(24)23-10-4-6-12-25(23)30(29)18-27(20)28/h3-14,16-19H,15H2,1-2H3.
What are the key properties of 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene?
28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene has a molecular weight of 432.57 g/mol, XLogP of 9.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 157108235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).