ethane;1,2,5-trimethylnaphthalene

C19H32 — CID 142394206

IUPACethane;1,2,5-trimethylnaphthalene
SMILESCC.CC.CC.Cc1ccc2c(C)cccc2c1C
InChIInChI=1S/C13H14.3C2H6/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3;3*1-2/h4-8H,1-3H3;3*1-2H3
InChIKeyTWGPUJAEQYRHST-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.84
Rot. Bonds

About ethane;1,2,5-trimethylnaphthalene

ethane;1,2,5-trimethylnaphthalene (PubChem CID 142394206) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is ethane;1,2,5-trimethylnaphthalene.

Molecular Properties

Compound Nameethane;1,2,5-trimethylnaphthalene
PubChem CID142394206
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nameethane;1,2,5-trimethylnaphthalene
SMILESCC.CC.CC.Cc1ccc2c(C)cccc2c1C
InChIInChI=1S/C13H14.3C2H6/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3;3*1-2/h4-8H,1-3H3;3*1-2H3
InChIKeyTWGPUJAEQYRHST-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-dimethylnaphthalene
CID 162159355
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
ethane;1,2,3-trimethylbenzene
CID 54068667
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
1,2-dimethyltriphenylene;ethane
CID 145144770
1,2-dimethylnaphthalene;ethane
CID 90922397
7-methylchrysene-1-thiol
CID 143948531
benzene;1,2,3-trimethylbenzene
CID 159605245
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
1,6-dimethylphenanthrene;ethane
CID 144939314
methane;1-methylphenanthrene
CID 175001905
1,2-dimethylnaphthalene;ethane;propane
CID 90958253

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,5-trimethylnaphthalene?
The IUPAC name of ethane;1,2,5-trimethylnaphthalene (CID 142394206) is ethane;1,2,5-trimethylnaphthalene.
What is the SMILES notation for ethane;1,2,5-trimethylnaphthalene?
The canonical SMILES for ethane;1,2,5-trimethylnaphthalene is CC.CC.CC.Cc1ccc2c(C)cccc2c1C.
What is the InChIKey of ethane;1,2,5-trimethylnaphthalene?
The InChIKey is TWGPUJAEQYRHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.3C2H6/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3;3*1-2/h4-8H,1-3H3;3*1-2H3.
What are the key properties of ethane;1,2,5-trimethylnaphthalene?
ethane;1,2,5-trimethylnaphthalene has a molecular weight of 260.46 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,5-trimethylnaphthalene is sourced from PubChem (CID 142394206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).