ethane;1-ethenyl-2-ethyl-7-methylnaphthalene

C17H22 — CID 142614708

IUPACethane;1-ethenyl-2-ethyl-7-methylnaphthalene
SMILESC=Cc1c(CC)ccc2ccc(C)cc12.CC
InChIInChI=1S/C15H16.C2H6/c1-4-12-8-9-13-7-6-11(3)10-15(13)14(12)5-2;1-2/h5-10H,2,4H2,1,3H3;1-2H3
InChIKeyGAKCRWQBDFOQLV-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.38
Rot. Bonds2

About ethane;1-ethenyl-2-ethyl-7-methylnaphthalene

ethane;1-ethenyl-2-ethyl-7-methylnaphthalene (PubChem CID 142614708) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;1-ethenyl-2-ethyl-7-methylnaphthalene.

Molecular Properties

Compound Nameethane;1-ethenyl-2-ethyl-7-methylnaphthalene
PubChem CID142614708
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameethane;1-ethenyl-2-ethyl-7-methylnaphthalene
SMILESC=Cc1c(CC)ccc2ccc(C)cc12.CC
InChIInChI=1S/C15H16.C2H6/c1-4-12-8-9-13-7-6-11(3)10-15(13)14(12)5-2;1-2/h5-10H,2,4H2,1,3H3;1-2H3
InChIKeyGAKCRWQBDFOQLV-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-ethyl-7-methylnaphthalene?
The IUPAC name of ethane;1-ethenyl-2-ethyl-7-methylnaphthalene (CID 142614708) is ethane;1-ethenyl-2-ethyl-7-methylnaphthalene.
What is the SMILES notation for ethane;1-ethenyl-2-ethyl-7-methylnaphthalene?
The canonical SMILES for ethane;1-ethenyl-2-ethyl-7-methylnaphthalene is C=Cc1c(CC)ccc2ccc(C)cc12.CC.
What is the InChIKey of ethane;1-ethenyl-2-ethyl-7-methylnaphthalene?
The InChIKey is GAKCRWQBDFOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C2H6/c1-4-12-8-9-13-7-6-11(3)10-15(13)14(12)5-2;1-2/h5-10H,2,4H2,1,3H3;1-2H3.
What are the key properties of ethane;1-ethenyl-2-ethyl-7-methylnaphthalene?
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene has a molecular weight of 226.36 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-ethyl-7-methylnaphthalene is sourced from PubChem (CID 142614708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).