1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene

C16H18 — CID 143593544

IUPAC1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
SMILESCC1=C=CC=C(C)C=C1.Cc1ccccc1
InChIInChI=1S/C9H10.C7H8/c1-8-4-3-5-9(2)7-6-8;1-7-5-3-2-4-6-7/h3-4,6-7H,1-2H3;2-6H,1H3
InChIKeyUTAHIYUDEUPSED-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.60
Rot. Bonds

About 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene

1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene (PubChem CID 143593544) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene.

Molecular Properties

Compound Name1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
PubChem CID143593544
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
SMILESCC1=C=CC=C(C)C=C1.Cc1ccccc1
InChIInChI=1S/C9H10.C7H8/c1-8-4-3-5-9(2)7-6-8;1-7-5-3-2-4-6-7/h3-4,6-7H,1-2H3;2-6H,1H3
InChIKeyUTAHIYUDEUPSED-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142426250
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CID 101240530
titanium(2+);toluene
CID 22023820
toluene;dihydrochloride
CID 66712893
iridium;toluene
CID 160574470
ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177
toluene;tetrahydrochloride
CID 174345064
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CID 173370039
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CID 159315944
aluminum toluene
CID 21283935

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene?
The IUPAC name of 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene (CID 143593544) is 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene.
What is the SMILES notation for 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene?
The canonical SMILES for 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene is CC1=C=CC=C(C)C=C1.Cc1ccccc1.
What is the InChIKey of 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene?
The InChIKey is UTAHIYUDEUPSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H8/c1-8-4-3-5-9(2)7-6-8;1-7-5-3-2-4-6-7/h3-4,6-7H,1-2H3;2-6H,1H3.
What are the key properties of 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene?
1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene has a molecular weight of 210.32 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene is sourced from PubChem (CID 143593544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).