1-ethenyl-5,7-dimethyl-2-propylnaphthalene

C17H20 — CID 143776422

IUPAC1-ethenyl-5,7-dimethyl-2-propylnaphthalene
SMILESC=Cc1c(CCC)ccc2c(C)cc(C)cc12
InChIInChI=1S/C17H20/c1-5-7-14-8-9-16-13(4)10-12(3)11-17(16)15(14)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyTVMRKQHEOBCEAO-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.05
Rot. Bonds3

About 1-ethenyl-5,7-dimethyl-2-propylnaphthalene

1-ethenyl-5,7-dimethyl-2-propylnaphthalene (PubChem CID 143776422) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-ethenyl-5,7-dimethyl-2-propylnaphthalene.

Molecular Properties

Compound Name1-ethenyl-5,7-dimethyl-2-propylnaphthalene
PubChem CID143776422
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-ethenyl-5,7-dimethyl-2-propylnaphthalene
SMILESC=Cc1c(CCC)ccc2c(C)cc(C)cc12
InChIInChI=1S/C17H20/c1-5-7-14-8-9-16-13(4)10-12(3)11-17(16)15(14)6-2/h6,8-11H,2,5,7H2,1,3-4H3
InChIKeyTVMRKQHEOBCEAO-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5,7-dimethyl-2-propylnaphthalene?
The IUPAC name of 1-ethenyl-5,7-dimethyl-2-propylnaphthalene (CID 143776422) is 1-ethenyl-5,7-dimethyl-2-propylnaphthalene.
What is the SMILES notation for 1-ethenyl-5,7-dimethyl-2-propylnaphthalene?
The canonical SMILES for 1-ethenyl-5,7-dimethyl-2-propylnaphthalene is C=Cc1c(CCC)ccc2c(C)cc(C)cc12.
What is the InChIKey of 1-ethenyl-5,7-dimethyl-2-propylnaphthalene?
The InChIKey is TVMRKQHEOBCEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-5-7-14-8-9-16-13(4)10-12(3)11-17(16)15(14)6-2/h6,8-11H,2,5,7H2,1,3-4H3.
What are the key properties of 1-ethenyl-5,7-dimethyl-2-propylnaphthalene?
1-ethenyl-5,7-dimethyl-2-propylnaphthalene has a molecular weight of 224.35 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5,7-dimethyl-2-propylnaphthalene is sourced from PubChem (CID 143776422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).