cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene

C24H36 — CID 161488125

IUPACcyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
SMILESC1CC1.CCCCCc1ccc(C)cc1.CCc1ccc(C)cc1
InChIInChI=1S/C12H18.C9H12.C3H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;1-3-9-6-4-8(2)5-7-9;1-2-3-1/h7-10H,3-6H2,1-2H3;4-7H,3H2,1-2H3;1-3H2
InChIKeyWFFWMLVJYVMDTE-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.46
Rot. Bonds5

About cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene

cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene (PubChem CID 161488125) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene.

Molecular Properties

Compound Namecyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
PubChem CID161488125
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Namecyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
SMILESC1CC1.CCCCCc1ccc(C)cc1.CCc1ccc(C)cc1
InChIInChI=1S/C12H18.C9H12.C3H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;1-3-9-6-4-8(2)5-7-9;1-2-3-1/h7-10H,3-6H2,1-2H3;4-7H,3H2,1-2H3;1-3H2
InChIKeyWFFWMLVJYVMDTE-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765
1-methyl-4-octylbenzene
CID 11052746
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-ethyl-4-octacosylbenzene
CID 175218304
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-methyl-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 19899706
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
1-methyl-4-pentylbenzene;sulfuryl dichloride
CID 174918567
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene?
The IUPAC name of cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene (CID 161488125) is cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene.
What is the SMILES notation for cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene?
The canonical SMILES for cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene is C1CC1.CCCCCc1ccc(C)cc1.CCc1ccc(C)cc1.
What is the InChIKey of cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene?
The InChIKey is WFFWMLVJYVMDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C9H12.C3H6/c1-3-4-5-6-12-9-7-11(2)8-10-12;1-3-9-6-4-8(2)5-7-9;1-2-3-1/h7-10H,3-6H2,1-2H3;4-7H,3H2,1-2H3;1-3H2.
What are the key properties of cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene?
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene has a molecular weight of 324.55 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene is sourced from PubChem (CID 161488125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).