1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene

C36H48 — CID 158113046

IUPAC1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
SMILESC.C.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C
InChIInChI=1S/2C12H12.C8H10.C2H6.2CH4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-7-5-3-4-6-8(7)2;1-2;;/h2*3-8H,1-2H3;3-6H,1-2H3;1-2H3;2*1H4
InChIKeyFQRBIEKVWRYBPM-UHFFFAOYSA-N
MW480.78 g/mol
LogP11.52
Rot. Bonds

About 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene

1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene (PubChem CID 158113046) has the molecular formula C36H48 and a molecular weight of 480.78 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
PubChem CID158113046
Molecular FormulaC36H48
Molecular Weight480.78 g/mol
Exact Mass480.38
IUPAC Name1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
SMILESC.C.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C
InChIInChI=1S/2C12H12.C8H10.C2H6.2CH4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-7-5-3-4-6-8(7)2;1-2;;/h2*3-8H,1-2H3;3-6H,1-2H3;1-2H3;2*1H4
InChIKeyFQRBIEKVWRYBPM-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125
1,2-dimethylnaphthalene;ethane
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CID 90958253
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
CID 174952832
CID 174952832
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
3,4-dimethylbenzo[a]anthracene
CID 154377924
anthracene;benzene;ethane;methane;naphthalene;phenanthrene
CID 165100434
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene?
The IUPAC name of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene (CID 158113046) is 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene.
What is the SMILES notation for 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene?
The canonical SMILES for 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene is C.C.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C.
What is the InChIKey of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene?
The InChIKey is FQRBIEKVWRYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12.C8H10.C2H6.2CH4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-8-11-5-3-4-6-12(11)10(9)2;1-7-5-3-4-6-8(7)2;1-2;;/h2*3-8H,1-2H3;3-6H,1-2H3;1-2H3;2*1H4.
What are the key properties of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene?
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene has a molecular weight of 480.78 g/mol, XLogP of 11.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene is sourced from PubChem (CID 158113046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).