cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene

C23H36 — CID 142052735

IUPACcyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
SMILESCC.CC.CCc1cccc(C)c1.c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H12.C9H12.2C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-3,5-6,10H,4,7-8H2;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyMZCFRJDPYFYHNR-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.56
Rot. Bonds2

About cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene

cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene (PubChem CID 142052735) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene.

Molecular Properties

Compound Namecyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
PubChem CID142052735
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Namecyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
SMILESCC.CC.CCc1cccc(C)c1.c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H12.C9H12.2C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-3,5-6,10H,4,7-8H2;4-7H,3H2,1-2H3;2*1-2H3
InChIKeyMZCFRJDPYFYHNR-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746
1-ethyl-3-methylbenzene;methanamine
CID 167447790
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
cyclohexylcyclohexane;1-cyclohexyl-3-methylbenzene;ethane;iodoethane
CID 123173892
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
ethane;ethylbenzene;toluene
CID 159408087

Frequently Asked Questions

What is the IUPAC name of cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene?
The IUPAC name of cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene (CID 142052735) is cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene.
What is the SMILES notation for cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene?
The canonical SMILES for cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene is CC.CC.CCc1cccc(C)c1.c1ccc(C2CCC2)cc1.
What is the InChIKey of cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene?
The InChIKey is MZCFRJDPYFYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H12.2C2H6/c1-2-5-9(6-3-1)10-7-4-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2/h1-3,5-6,10H,4,7-8H2;4-7H,3H2,1-2H3;2*1-2H3.
What are the key properties of cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene?
cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene has a molecular weight of 312.54 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene is sourced from PubChem (CID 142052735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).