1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene

C36H52 — CID 157356063

IUPAC1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
SMILESC.C.CCc1cc(CC)cc(CC)c1.CCc1ccc(CC)cc1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12.C12H18.C10H14.2CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-4-10-7-11(5-2)9-12(6-3)8-10;1-3-9-5-7-10(4-2)8-6-9;;/h3-8H,1-2H3;7-9H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;2*1H4
InChIKeyBICCHAANLYLJGF-UHFFFAOYSA-N
MW484.81 g/mol
LogP10.91
Rot. Bonds5

About 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene

1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene (PubChem CID 157356063) has the molecular formula C36H52 and a molecular weight of 484.81 g/mol. Its IUPAC name is 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene.

Molecular Properties

Compound Name1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
PubChem CID157356063
Molecular FormulaC36H52
Molecular Weight484.81 g/mol
Exact Mass484.41
IUPAC Name1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
SMILESC.C.CCc1cc(CC)cc(CC)c1.CCc1ccc(CC)cc1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C12H12.C12H18.C10H14.2CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-4-10-7-11(5-2)9-12(6-3)8-10;1-3-9-5-7-10(4-2)8-6-9;;/h3-8H,1-2H3;7-9H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;2*1H4
InChIKeyBICCHAANLYLJGF-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene 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

ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
2,6-dimethylnaphthalene;propane
CID 142191183
2-ethyl-7-methylphenanthrene
CID 59758331
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
2,7-dimethylnaphthalene;ethylbenzene;tetrakis(2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene)
CID 159778845
ethylbenzene;2-methyl-7-(7-methylnaphthalen-2-yl)oxynaphthalene
CID 90756691
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
CID 164981167
carbanide;1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene;1,4-diethylnaphthalene;1,5-diethylnaphthalene;2,6-diethylnaphthalene;2-ethyl-7-methylnaphthalene;tris(rhodium)
CID 159888057
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene?
The IUPAC name of 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene (CID 157356063) is 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene.
What is the SMILES notation for 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene?
The canonical SMILES for 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene is C.C.CCc1cc(CC)cc(CC)c1.CCc1ccc(CC)cc1.Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene?
The InChIKey is BICCHAANLYLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C12H18.C10H14.2CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-4-10-7-11(5-2)9-12(6-3)8-10;1-3-9-5-7-10(4-2)8-6-9;;/h3-8H,1-2H3;7-9H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;2*1H4.
What are the key properties of 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene?
1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene has a molecular weight of 484.81 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene is sourced from PubChem (CID 157356063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).