bis(1-ethyl-3,5-dimethylbenzene);naphthalene

C30H36 — CID 165102980

IUPACbis(1-ethyl-3,5-dimethylbenzene);naphthalene
SMILESCCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C10H14/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-10-6-8(2)5-9(3)7-10/h1-8H;2*5-7H,4H2,1-3H3
InChIKeyYQMSLKJEESUKOH-UHFFFAOYSA-N
MW396.62 g/mol
LogP8.57
Rot. Bonds2

About bis(1-ethyl-3,5-dimethylbenzene);naphthalene

bis(1-ethyl-3,5-dimethylbenzene);naphthalene (PubChem CID 165102980) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is bis(1-ethyl-3,5-dimethylbenzene);naphthalene.

Molecular Properties

Compound Namebis(1-ethyl-3,5-dimethylbenzene);naphthalene
PubChem CID165102980
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Namebis(1-ethyl-3,5-dimethylbenzene);naphthalene
SMILESCCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C10H14/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-10-6-8(2)5-9(3)7-10/h1-8H;2*5-7H,4H2,1-3H3
InChIKeyYQMSLKJEESUKOH-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
2-[(3,5-dimethylphenyl)methyl]-3-ethylnaphthalene
CID 159571856
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
ethane;2-ethylnaphthalene
CID 90684887
1-ethyl-3,5-dimethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 160945990
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
(3-ethyl-5-methylphenyl)phosphane
CID 89379399
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanol
CID 63899918
ethane;naphthalene;propane;toluene
CID 91119516

Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-3,5-dimethylbenzene);naphthalene?
The IUPAC name of bis(1-ethyl-3,5-dimethylbenzene);naphthalene (CID 165102980) is bis(1-ethyl-3,5-dimethylbenzene);naphthalene.
What is the SMILES notation for bis(1-ethyl-3,5-dimethylbenzene);naphthalene?
The canonical SMILES for bis(1-ethyl-3,5-dimethylbenzene);naphthalene is CCc1cc(C)cc(C)c1.CCc1cc(C)cc(C)c1.c1ccc2ccccc2c1.
What is the InChIKey of bis(1-ethyl-3,5-dimethylbenzene);naphthalene?
The InChIKey is YQMSLKJEESUKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C10H14/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-4-10-6-8(2)5-9(3)7-10/h1-8H;2*5-7H,4H2,1-3H3.
What are the key properties of bis(1-ethyl-3,5-dimethylbenzene);naphthalene?
bis(1-ethyl-3,5-dimethylbenzene);naphthalene has a molecular weight of 396.62 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-3,5-dimethylbenzene);naphthalene is sourced from PubChem (CID 165102980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).