ethane;2,3,6,7-tetramethylanthracene

C22H30 — CID 143651671

IUPACethane;2,3,6,7-tetramethylanthracene
SMILESCC.CC.Cc1cc2cc3cc(C)c(C)cc3cc2cc1C
InChIInChI=1S/C18H18.2C2H6/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyDZAMJGCDZLFJME-UHFFFAOYSA-N
MW294.48 g/mol
LogP7.28
Rot. Bonds

About ethane;2,3,6,7-tetramethylanthracene

ethane;2,3,6,7-tetramethylanthracene (PubChem CID 143651671) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;2,3,6,7-tetramethylanthracene.

Molecular Properties

Compound Nameethane;2,3,6,7-tetramethylanthracene
PubChem CID143651671
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Nameethane;2,3,6,7-tetramethylanthracene
SMILESCC.CC.Cc1cc2cc3cc(C)c(C)cc3cc2cc1C
InChIInChI=1S/C18H18.2C2H6/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyDZAMJGCDZLFJME-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.28
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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Related Compounds

ethane;methane;1,2,4,5-tetramethylbenzene
CID 144520627
6,7-dimethylnaphthalene-2-thiol;ethane
CID 143677579
pentadecacyclo[27.25.1.12,28.04,53.06,51.08,49.010,47.012,45.014,43.016,41.018,39.020,37.022,35.024,33.026,31]hexapentaconta-1(55),2(56),3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-octacosaene
CID 135009478
hexacyclo[9.7.1.12,10.04,17.06,15.08,13]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene
CID 102250040
5,6-dimethylcyclobuta[b]naphthalene-1,2-dione
CID 10608506
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
methane;1,2,4,5-tetramethylbenzene
CID 162125793
2,6-diiodo-3,7-dimethylnaphthalene
CID 153291059
propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)
CID 159444581
ethane;pentacene
CID 91470616
calcium;1,2,4,5-tetramethylbenzene;dichloride
CID 174947669
3-methyltetracen-2-amine
CID 154953105

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6,7-tetramethylanthracene?
The IUPAC name of ethane;2,3,6,7-tetramethylanthracene (CID 143651671) is ethane;2,3,6,7-tetramethylanthracene.
What is the SMILES notation for ethane;2,3,6,7-tetramethylanthracene?
The canonical SMILES for ethane;2,3,6,7-tetramethylanthracene is CC.CC.Cc1cc2cc3cc(C)c(C)cc3cc2cc1C.
What is the InChIKey of ethane;2,3,6,7-tetramethylanthracene?
The InChIKey is DZAMJGCDZLFJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.2C2H6/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2;2*1-2/h5-10H,1-4H3;2*1-2H3.
What are the key properties of ethane;2,3,6,7-tetramethylanthracene?
ethane;2,3,6,7-tetramethylanthracene has a molecular weight of 294.48 g/mol, XLogP of 7.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6,7-tetramethylanthracene is sourced from PubChem (CID 143651671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).