1,6-dimethylanthracene;ethane

C18H20 — CID 142009331

IUPAC1,6-dimethylanthracene;ethane
SMILESCC.Cc1ccc2cc3c(C)cccc3cc2c1
InChIInChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUORIDUXUQPRXOP-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.64
Rot. Bonds

About 1,6-dimethylanthracene;ethane

1,6-dimethylanthracene;ethane (PubChem CID 142009331) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,6-dimethylanthracene;ethane.

Molecular Properties

Compound Name1,6-dimethylanthracene;ethane
PubChem CID142009331
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,6-dimethylanthracene;ethane
SMILESCC.Cc1ccc2cc3c(C)cccc3cc2c1
InChIInChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3
InChIKeyUORIDUXUQPRXOP-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylanthracene;ethane?
The IUPAC name of 1,6-dimethylanthracene;ethane (CID 142009331) is 1,6-dimethylanthracene;ethane.
What is the SMILES notation for 1,6-dimethylanthracene;ethane?
The canonical SMILES for 1,6-dimethylanthracene;ethane is CC.Cc1ccc2cc3c(C)cccc3cc2c1.
What is the InChIKey of 1,6-dimethylanthracene;ethane?
The InChIKey is UORIDUXUQPRXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-11-6-7-13-10-16-12(2)4-3-5-14(16)9-15(13)8-11;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of 1,6-dimethylanthracene;ethane?
1,6-dimethylanthracene;ethane has a molecular weight of 236.36 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylanthracene;ethane is sourced from PubChem (CID 142009331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).