1,2-dimethylpyrene;ethane

C20H20 — CID 143986089

IUPAC1,2-dimethylpyrene;ethane
SMILESCC.Cc1cc2ccc3cccc4ccc(c1C)c2c34
InChIInChI=1S/C18H14.C2H6/c1-11-10-15-7-6-13-4-3-5-14-8-9-16(12(11)2)18(15)17(13)14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyGEYGWPXOTCYHMA-UHFFFAOYSA-N
MW260.38 g/mol
LogP6.23
Rot. Bonds

About 1,2-dimethylpyrene;ethane

1,2-dimethylpyrene;ethane (PubChem CID 143986089) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,2-dimethylpyrene;ethane.

Molecular Properties

Compound Name1,2-dimethylpyrene;ethane
PubChem CID143986089
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,2-dimethylpyrene;ethane
SMILESCC.Cc1cc2ccc3cccc4ccc(c1C)c2c34
InChIInChI=1S/C18H14.C2H6/c1-11-10-15-7-6-13-4-3-5-14-8-9-16(12(11)2)18(15)17(13)14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyGEYGWPXOTCYHMA-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 56.23
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

5-methylpyren-1-amine
CID 23131220
4,10-dimethylpyrene
CID 91667650
pyrene;1,3-xylene
CID 174892551
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990
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
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
4,5-dimethylphenanthrene;ethane
CID 143983787
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
1-pyren-4-ylpyrene
CID 71343129
6,7-dimethyl-5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 86153815
1,8-di(pyren-1-yl)pyrene
CID 58915622
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrene;ethane?
The IUPAC name of 1,2-dimethylpyrene;ethane (CID 143986089) is 1,2-dimethylpyrene;ethane.
What is the SMILES notation for 1,2-dimethylpyrene;ethane?
The canonical SMILES for 1,2-dimethylpyrene;ethane is CC.Cc1cc2ccc3cccc4ccc(c1C)c2c34.
What is the InChIKey of 1,2-dimethylpyrene;ethane?
The InChIKey is GEYGWPXOTCYHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C2H6/c1-11-10-15-7-6-13-4-3-5-14-8-9-16(12(11)2)18(15)17(13)14;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylpyrene;ethane?
1,2-dimethylpyrene;ethane has a molecular weight of 260.38 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrene;ethane is sourced from PubChem (CID 143986089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).