1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene

C14H20 — CID 123762881

IUPAC1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene
SMILESCc1cc(C)c(C2CC(C)C2)cc1C
InChIInChI=1S/C14H20/c1-9-5-13(6-9)14-8-11(3)10(2)7-12(14)4/h7-9,13H,5-6H2,1-4H3
InChIKeySMEJSBZZAJWSLV-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.13
Rot. Bonds1

About 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene

1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene (PubChem CID 123762881) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene.

Molecular Properties

Compound Name1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene
PubChem CID123762881
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene
SMILESCc1cc(C)c(C2CC(C)C2)cc1C
InChIInChI=1S/C14H20/c1-9-5-13(6-9)14-8-11(3)10(2)7-12(14)4/h7-9,13H,5-6H2,1-4H3
InChIKeySMEJSBZZAJWSLV-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 115375246
2-methyl-5-(2,4,5-trimethylphenyl)piperidine
CID 64985243
3-(2,4,5-trimethylphenyl)cyclopentan-1-one
CID 64989713
1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene
CID 91346365
N,2,3,7-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115483167
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
methane;1,2,4,5-tetramethylbenzene
CID 162125793
2,2-dimethyl-3-(2,4,5-trimethylphenyl)oxirane
CID 116864063
N-(5-cyclopropyl-2,4-dimethylphenyl)-N-methylmethanesulfinamide
CID 170278641
3,7-dimethylbicyclo[3.3.1]nonan-9-one
CID 101110552
4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
CID 81013563
2,8,14,20-tetrakis(2,4,5-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 121312077

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene?
The IUPAC name of 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene (CID 123762881) is 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene.
What is the SMILES notation for 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene?
The canonical SMILES for 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene is Cc1cc(C)c(C2CC(C)C2)cc1C.
What is the InChIKey of 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene?
The InChIKey is SMEJSBZZAJWSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-9-5-13(6-9)14-8-11(3)10(2)7-12(14)4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene?
1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene is sourced from PubChem (CID 123762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).