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

C38H52 — CID 161084125

IUPAC1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
SMILESCC.CC.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C
InChIInChI=1S/2C12H12.C8H10.3C2H6/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;3*1-2/h2*3-8H,1-2H3;3-6H,1-2H3;3*1-2H3
InChIKeyUGGZWAJHXYRSSQ-UHFFFAOYSA-N
MW508.83 g/mol
LogP12.30
Rot. Bonds

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

1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene (PubChem CID 161084125) has the molecular formula C38H52 and a molecular weight of 508.83 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
PubChem CID161084125
Molecular FormulaC38H52
Molecular Weight508.83 g/mol
Exact Mass508.41
IUPAC Name1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
SMILESCC.CC.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C
InChIInChI=1S/2C12H12.C8H10.3C2H6/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;3*1-2/h2*3-8H,1-2H3;3-6H,1-2H3;3*1-2H3
InChIKeyUGGZWAJHXYRSSQ-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
CID 158113046
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;ethane;propane
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
3,4-dimethylbenzo[a]anthracene
CID 154377924
bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene);bis(1,2,6-trimethylnaphthalene)
CID 161343592
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene?
The IUPAC name of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene (CID 161084125) is 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene.
What is the SMILES notation for 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene?
The canonical SMILES for 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene is CC.CC.CC.Cc1cc2ccccc2cc1C.Cc1ccc2ccccc2c1C.Cc1ccccc1C.
What is the InChIKey of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene?
The InChIKey is UGGZWAJHXYRSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12.C8H10.3C2H6/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;3*1-2/h2*3-8H,1-2H3;3-6H,1-2H3;3*1-2H3.
What are the key properties of 1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene?
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene has a molecular weight of 508.83 g/mol, XLogP of 12.30, 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;1,2-xylene is sourced from PubChem (CID 161084125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).