1-ethyl-2-prop-2-enylnaphthalene

C15H16 — CID 90721698

IUPAC1-ethyl-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1CC
InChIInChI=1S/C15H16/c1-3-7-12-10-11-13-8-5-6-9-15(13)14(12)4-2/h3,5-6,8-11H,1,4,7H2,2H3
InChIKeyJGSXPKXETQJGKY-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.13
Rot. Bonds3

About 1-ethyl-2-prop-2-enylnaphthalene

1-ethyl-2-prop-2-enylnaphthalene (PubChem CID 90721698) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-ethyl-2-prop-2-enylnaphthalene.

Molecular Properties

Compound Name1-ethyl-2-prop-2-enylnaphthalene
PubChem CID90721698
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-ethyl-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1CC
InChIInChI=1S/C15H16/c1-3-7-12-10-11-13-8-5-6-9-15(13)14(12)4-2/h3,5-6,8-11H,1,4,7H2,2H3
InChIKeyJGSXPKXETQJGKY-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-prop-2-enylnaphthalene?
The IUPAC name of 1-ethyl-2-prop-2-enylnaphthalene (CID 90721698) is 1-ethyl-2-prop-2-enylnaphthalene.
What is the SMILES notation for 1-ethyl-2-prop-2-enylnaphthalene?
The canonical SMILES for 1-ethyl-2-prop-2-enylnaphthalene is C=CCc1ccc2ccccc2c1CC.
What is the InChIKey of 1-ethyl-2-prop-2-enylnaphthalene?
The InChIKey is JGSXPKXETQJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-3-7-12-10-11-13-8-5-6-9-15(13)14(12)4-2/h3,5-6,8-11H,1,4,7H2,2H3.
What are the key properties of 1-ethyl-2-prop-2-enylnaphthalene?
1-ethyl-2-prop-2-enylnaphthalene has a molecular weight of 196.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-prop-2-enylnaphthalene is sourced from PubChem (CID 90721698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).