1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene

C18H24 — CID 173216287

IUPAC1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene
SMILESCCCC1C(C)=CC=CC1(C)c1ccccc1C
InChIInChI=1S/C18H24/c1-5-9-16-15(3)11-8-13-18(16,4)17-12-7-6-10-14(17)2/h6-8,10-13,16H,5,9H2,1-4H3
InChIKeyTVICDNNJAVXHOI-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.19
Rot. Bonds3

About 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene

1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene (PubChem CID 173216287) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene
PubChem CID173216287
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene
SMILESCCCC1C(C)=CC=CC1(C)c1ccccc1C
InChIInChI=1S/C18H24/c1-5-9-16-15(3)11-8-13-18(16,4)17-12-7-6-10-14(17)2/h6-8,10-13,16H,5,9H2,1-4H3
InChIKeyTVICDNNJAVXHOI-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-methyl-3-(2-methylphenyl)-1-propyl-1,2-dihydroindene
CID 71341749
2,2,3,3-tetramethyl-1-propyl-1H-indene
CID 54246995
5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene
CID 173469802
6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene
CID 174712067
2-(6-butyl-1,3,5-trimethylcyclohexa-2,4-dien-1-yl)phenol
CID 88689357
1-(2-methylphenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65013569
5,6-dimethyl-5-phenyl-1-propylcyclohexa-1,3-diene
CID 173216228
N-methyl-1-[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775982
5-butyl-1,6-dimethyl-5-phenylcyclohexa-1,3-diene
CID 150014073
1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
CID 22420537
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
CID 102395819
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
CID 25150644

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene?
The IUPAC name of 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene (CID 173216287) is 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene is CCCC1C(C)=CC=CC1(C)c1ccccc1C.
What is the InChIKey of 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene?
The InChIKey is TVICDNNJAVXHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-5-9-16-15(3)11-8-13-18(16,4)17-12-7-6-10-14(17)2/h6-8,10-13,16H,5,9H2,1-4H3.
What are the key properties of 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene?
1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene has a molecular weight of 240.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-(2-methylphenyl)-6-propylcyclohexa-1,3-diene is sourced from PubChem (CID 173216287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).