3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane

C20H26 — CID 143232172

IUPAC3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane
SMILESCC.CC1=CCC=CC(c2ccccc2C)=C1C1CC1
InChIInChI=1S/C18H20.C2H6/c1-13-7-3-5-9-16(13)17-10-6-4-8-14(2)18(17)15-11-12-15;1-2/h3,5-10,15H,4,11-12H2,1-2H3;1-2H3
InChIKeyWSXJWIFOBPDQCA-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.09
Rot. Bonds2

About 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane

3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane (PubChem CID 143232172) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane
PubChem CID143232172
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane
SMILESCC.CC1=CCC=CC(c2ccccc2C)=C1C1CC1
InChIInChI=1S/C18H20.C2H6/c1-13-7-3-5-9-16(13)17-10-6-4-8-14(2)18(17)15-11-12-15;1-2/h3,5-10,15H,4,11-12H2,1-2H3;1-2H3
InChIKeyWSXJWIFOBPDQCA-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 142835495
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-[7-methyl-6-(2-methylphenyl)cyclohepta-1,4,6-trien-1-yl]tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaene
CID 143761270
1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
CID 123864976
5-methyl-8H-benzo[7]annulene
CID 142246381
2-cycloheptyl-4-methyl-3-(2-methylphenoxy)cyclohepta-1,3,5-triene
CID 144918675
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylcyclopenta-1,3-diene;ethane;1,2-xylene
CID 158097418
ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
1-(4,4-difluorocyclohexa-1,5-dien-1-yl)-2-methylbenzene
CID 175266507

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane?
The IUPAC name of 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane (CID 143232172) is 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane.
What is the SMILES notation for 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane?
The canonical SMILES for 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane is CC.CC1=CCC=CC(c2ccccc2C)=C1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane?
The InChIKey is WSXJWIFOBPDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C2H6/c1-13-7-3-5-9-16(13)17-10-6-4-8-14(2)18(17)15-11-12-15;1-2/h3,5-10,15H,4,11-12H2,1-2H3;1-2H3.
What are the key properties of 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane?
3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane has a molecular weight of 266.43 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane is sourced from PubChem (CID 143232172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).