ethane;3-ethyl-2,6-dimethylnaphthalene

C16H22 — CID 143575841

IUPACethane;3-ethyl-2,6-dimethylnaphthalene
SMILESCC.CCc1cc2cc(C)ccc2cc1C
InChIInChI=1S/C14H16.C2H6/c1-4-12-9-14-7-10(2)5-6-13(14)8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H3
InChIKeyMPOCFEPKXDIMCF-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.05
Rot. Bonds1

About ethane;3-ethyl-2,6-dimethylnaphthalene

ethane;3-ethyl-2,6-dimethylnaphthalene (PubChem CID 143575841) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;3-ethyl-2,6-dimethylnaphthalene.

Molecular Properties

Compound Nameethane;3-ethyl-2,6-dimethylnaphthalene
PubChem CID143575841
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Nameethane;3-ethyl-2,6-dimethylnaphthalene
SMILESCC.CCc1cc2cc(C)ccc2cc1C
InChIInChI=1S/C14H16.C2H6/c1-4-12-9-14-7-10(2)5-6-13(14)8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H3
InChIKeyMPOCFEPKXDIMCF-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-dimethylnaphthalene;propane
CID 142191183
2,9-dimethylpentacene
CID 11460950
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
2,3-dimethyl-6-[(6-methylnaphthalen-2-yl)methyl]naphthalene
CID 142943343
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
3-chloro-2,6-dimethylnaphthalene
CID 138458310
butane;2-methylanthracene
CID 90696557
3-ethyl-1,2,6-trimethylnaphthalene
CID 91078204
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene
CID 143438596
1,4-diethylbenzene;2,6-dimethylnaphthalene;methane;1,3,5-triethylbenzene
CID 157356063

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2,6-dimethylnaphthalene?
The IUPAC name of ethane;3-ethyl-2,6-dimethylnaphthalene (CID 143575841) is ethane;3-ethyl-2,6-dimethylnaphthalene.
What is the SMILES notation for ethane;3-ethyl-2,6-dimethylnaphthalene?
The canonical SMILES for ethane;3-ethyl-2,6-dimethylnaphthalene is CC.CCc1cc2cc(C)ccc2cc1C.
What is the InChIKey of ethane;3-ethyl-2,6-dimethylnaphthalene?
The InChIKey is MPOCFEPKXDIMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C2H6/c1-4-12-9-14-7-10(2)5-6-13(14)8-11(12)3;1-2/h5-9H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-2,6-dimethylnaphthalene?
ethane;3-ethyl-2,6-dimethylnaphthalene has a molecular weight of 214.35 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2,6-dimethylnaphthalene is sourced from PubChem (CID 143575841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).