1-ethenylnaphthalene;propane

C18H26 — CID 90732485

IUPAC1-ethenylnaphthalene;propane
SMILESC=Cc1cccc2ccccc12.CCC.CCC
InChIInChI=1S/C12H10.2C3H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-3-2/h2-9H,1H2;2*3H2,1-2H3
InChIKeyGGVTZUQTKLFCBD-UHFFFAOYSA-N
MW242.41 g/mol
LogP6.32
Rot. Bonds1

About 1-ethenylnaphthalene;propane

1-ethenylnaphthalene;propane (PubChem CID 90732485) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-ethenylnaphthalene;propane.

Molecular Properties

Compound Name1-ethenylnaphthalene;propane
PubChem CID90732485
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-ethenylnaphthalene;propane
SMILESC=Cc1cccc2ccccc12.CCC.CCC
InChIInChI=1S/C12H10.2C3H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-3-2/h2-9H,1H2;2*3H2,1-2H3
InChIKeyGGVTZUQTKLFCBD-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylnaphthalene;propane?
The IUPAC name of 1-ethenylnaphthalene;propane (CID 90732485) is 1-ethenylnaphthalene;propane.
What is the SMILES notation for 1-ethenylnaphthalene;propane?
The canonical SMILES for 1-ethenylnaphthalene;propane is C=Cc1cccc2ccccc12.CCC.CCC.
What is the InChIKey of 1-ethenylnaphthalene;propane?
The InChIKey is GGVTZUQTKLFCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2C3H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;2*1-3-2/h2-9H,1H2;2*3H2,1-2H3.
What are the key properties of 1-ethenylnaphthalene;propane?
1-ethenylnaphthalene;propane has a molecular weight of 242.41 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylnaphthalene;propane is sourced from PubChem (CID 90732485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).