ethane;2-ethylnaphthalene

C14H18 — CID 90684887

IUPACethane;2-ethylnaphthalene
SMILESCC.CCc1ccc2ccccc2c1
InChIInChI=1S/C12H12.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyIOKWJMOGYHIKKB-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.43
Rot. Bonds1

About ethane;2-ethylnaphthalene

ethane;2-ethylnaphthalene (PubChem CID 90684887) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is ethane;2-ethylnaphthalene.

Molecular Properties

Compound Nameethane;2-ethylnaphthalene
PubChem CID90684887
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Nameethane;2-ethylnaphthalene
SMILESCC.CCc1ccc2ccccc2c1
InChIInChI=1S/C12H12.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyIOKWJMOGYHIKKB-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
2-(naphthalen-2-ylmethyl)naphthalene
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CID 158623865
2-ethylnaphthalene;3-methylquinoline
CID 143066870
1-(3-ethylphenyl)-2-naphthalen-2-ylethanol
CID 105117200
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
ethane;2-hexylnaphthalene
CID 142191207
2-ethyl-6-fluoronaphthalene
CID 58787061
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylnaphthalene?
The IUPAC name of ethane;2-ethylnaphthalene (CID 90684887) is ethane;2-ethylnaphthalene.
What is the SMILES notation for ethane;2-ethylnaphthalene?
The canonical SMILES for ethane;2-ethylnaphthalene is CC.CCc1ccc2ccccc2c1.
What is the InChIKey of ethane;2-ethylnaphthalene?
The InChIKey is IOKWJMOGYHIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-2/h3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylnaphthalene?
ethane;2-ethylnaphthalene has a molecular weight of 186.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylnaphthalene is sourced from PubChem (CID 90684887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).