ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene

C23H28 — CID 142960014

IUPACethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene
SMILESCC.Cc1cc2cc-2c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C7H6.2C7H8.C2H6/c1-5-2-6-4-7(6)3-5;2*1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;2*2-6H,1H3;1-2H3
InChIKeyIGCOYIZPCVPDIA-UHFFFAOYSA-N
MW304.48 g/mol
LogP6.99
Rot. Bonds

About ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene

ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene (PubChem CID 142960014) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene.

Molecular Properties

Compound Nameethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene
PubChem CID142960014
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Nameethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene
SMILESCC.Cc1cc2cc-2c1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C7H6.2C7H8.C2H6/c1-5-2-6-4-7(6)3-5;2*1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;2*2-6H,1H3;1-2H3
InChIKeyIGCOYIZPCVPDIA-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
benzene;ethane;toluene
CID 158929596
ethane;toluene
CID 91350799
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene?
The IUPAC name of ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene (CID 142960014) is ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene.
What is the SMILES notation for ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene?
The canonical SMILES for ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene is CC.Cc1cc2cc-2c1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene?
The InChIKey is IGCOYIZPCVPDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.2C7H8.C2H6/c1-5-2-6-4-7(6)3-5;2*1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;2*2-6H,1H3;1-2H3.
What are the key properties of ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene?
ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene has a molecular weight of 304.48 g/mol, XLogP of 6.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene;toluene is sourced from PubChem (CID 142960014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).