5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene

C18H20 — CID 142899269

IUPAC5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene
SMILESCC1=CC=C=C(C(C)(C)c2ccc(C)cc2)C=C1
InChIInChI=1S/C18H20/c1-14-6-5-7-16(11-8-14)18(3,4)17-12-9-15(2)10-13-17/h5-6,8-13H,1-4H3
InChIKeyUWVNEBMMXAUPMT-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.87
Rot. Bonds2

About 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene

5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene (PubChem CID 142899269) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene
PubChem CID142899269
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene
SMILESCC1=CC=C=C(C(C)(C)c2ccc(C)cc2)C=C1
InChIInChI=1S/C18H20/c1-14-6-5-7-16(11-8-14)18(3,4)17-12-9-15(2)10-13-17/h5-6,8-13H,1-4H3
InChIKeyUWVNEBMMXAUPMT-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
CID 143593544
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
1-tert-butyl-4-methylbenzene
CID 163486601
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
platinum;1,4-xylene
CID 173034643
1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 158122818
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene (CID 142899269) is 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene is CC1=CC=C=C(C(C)(C)c2ccc(C)cc2)C=C1.
What is the InChIKey of 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene?
The InChIKey is UWVNEBMMXAUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-14-6-5-7-16(11-8-14)18(3,4)17-12-9-15(2)10-13-17/h5-6,8-13H,1-4H3.
What are the key properties of 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene?
5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene has a molecular weight of 236.36 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(4-methylphenyl)propan-2-yl]cyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 142899269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).