6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane

C31H44 — CID 178128482

IUPAC6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
SMILESC.C.CC.CCC(C)c1ccc2c(C)cccc2c1.Cc1ccc(C)c2ccccc12
InChIInChI=1S/C15H18.C12H12.C2H6.2CH4/c1-4-11(2)13-8-9-15-12(3)6-5-7-14(15)10-13;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2;;/h5-11H,4H2,1-3H3;3-8H,1-2H3;1-2H3;2*1H4
InChIKeyOLJGUTSKIHISGU-UHFFFAOYSA-N
MW416.69 g/mol
LogP10.42
Rot. Bonds2

About 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane

6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane (PubChem CID 178128482) has the molecular formula C31H44 and a molecular weight of 416.69 g/mol. Its IUPAC name is 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane.

Molecular Properties

Compound Name6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
PubChem CID178128482
Molecular FormulaC31H44
Molecular Weight416.69 g/mol
Exact Mass416.34
IUPAC Name6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
SMILESC.C.CC.CCC(C)c1ccc2c(C)cccc2c1.Cc1ccc(C)c2ccccc12
InChIInChI=1S/C15H18.C12H12.C2H6.2CH4/c1-4-11(2)13-8-9-15-12(3)6-5-7-14(15)10-13;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2;;/h5-11H,4H2,1-3H3;3-8H,1-2H3;1-2H3;2*1H4
InChIKeyOLJGUTSKIHISGU-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-6-propan-2-ylnaphthalene
CID 58126565
argon;[1-(6-butan-2-yl-2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 158582716
methane;1-methylphenanthrene
CID 175001905
acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
9-(4-butan-2-ylphenyl)anthracene
CID 22974701
2-butan-2-yltriphenylene;ethane;1-methyl-4-(4-methylphenyl)benzene;toluene
CID 144660006
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
2-(5-methylnaphthalen-2-yl)propanoic acid
CID 54247261
6-butan-2-yl-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium
CID 157401482
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
ethane;1-methylnaphthalene;toluene
CID 91013579

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane?
The IUPAC name of 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane (CID 178128482) is 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane.
What is the SMILES notation for 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane?
The canonical SMILES for 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane is C.C.CC.CCC(C)c1ccc2c(C)cccc2c1.Cc1ccc(C)c2ccccc12.
What is the InChIKey of 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane?
The InChIKey is OLJGUTSKIHISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C12H12.C2H6.2CH4/c1-4-11(2)13-8-9-15-12(3)6-5-7-14(15)10-13;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-2;;/h5-11H,4H2,1-3H3;3-8H,1-2H3;1-2H3;2*1H4.
What are the key properties of 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane?
6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane has a molecular weight of 416.69 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane is sourced from PubChem (CID 178128482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).