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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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).