1,8-dimethyl-3,6-dimethylidenepyrene

C20H16 — CID 58370643

IUPAC1,8-dimethyl-3,6-dimethylidenepyrene
SMILESC=c1cc(C)c2ccc3c(C)cc(=C)c4ccc1c2c34
InChIInChI=1S/C20H16/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18/h5-10H,1,3H2,2,4H3
InChIKeyXZFJXJWITNDGMV-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.02
Rot. Bonds

About 1,8-dimethyl-3,6-dimethylidenepyrene

1,8-dimethyl-3,6-dimethylidenepyrene (PubChem CID 58370643) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,8-dimethyl-3,6-dimethylidenepyrene.

Molecular Properties

Compound Name1,8-dimethyl-3,6-dimethylidenepyrene
PubChem CID58370643
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name1,8-dimethyl-3,6-dimethylidenepyrene
SMILESC=c1cc(C)c2ccc3c(C)cc(=C)c4ccc1c2c34
InChIInChI=1S/C20H16/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18/h5-10H,1,3H2,2,4H3
InChIKeyXZFJXJWITNDGMV-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,8-dimethylpyrene-1,6-diamine
CID 163838926
3,6,8-trimethylpyren-1-ol
CID 154487222
1,6-ditert-butyl-3,8-dimethylpyrene
CID 59510192
4,10-dimethylpyrene
CID 91667650
1,4,5,8-tetramethylphenanthrene
CID 14619660
4-azido-5-iodo-3,6-dimethyl-1,8-dimethylidene-4,5-dihydropyrene
CID 58370642
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
1-N,1-N,6-N,6-N-tetraethyl-3,8-dimethylpyrene-1,6-diamine
CID 58322895
CID 89339872
CID 89339872
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
1,2,3,4,5,6,8-heptamethylpyrene
CID 59510141
CID 169424980
CID 169424980

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3,6-dimethylidenepyrene?
The IUPAC name of 1,8-dimethyl-3,6-dimethylidenepyrene (CID 58370643) is 1,8-dimethyl-3,6-dimethylidenepyrene.
What is the SMILES notation for 1,8-dimethyl-3,6-dimethylidenepyrene?
The canonical SMILES for 1,8-dimethyl-3,6-dimethylidenepyrene is C=c1cc(C)c2ccc3c(C)cc(=C)c4ccc1c2c34.
What is the InChIKey of 1,8-dimethyl-3,6-dimethylidenepyrene?
The InChIKey is XZFJXJWITNDGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15(11)19(16)20(17)18/h5-10H,1,3H2,2,4H3.
What are the key properties of 1,8-dimethyl-3,6-dimethylidenepyrene?
1,8-dimethyl-3,6-dimethylidenepyrene has a molecular weight of 256.35 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3,6-dimethylidenepyrene is sourced from PubChem (CID 58370643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).