1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene

C22H24O — CID 67613878

IUPAC1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene
SMILESC=CC(C=C)OC(C=C)C=C.C=Cc1cccc2ccccc12
InChIInChI=1S/C12H10.C10H14O/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5-9(6-2)11-10(7-3)8-4/h2-9H,1H2;5-10H,1-4H2
InChIKeyYYGLNLGYEITWQH-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.97
Rot. Bonds7

About 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene

1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene (PubChem CID 67613878) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene.

Molecular Properties

Compound Name1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene
PubChem CID67613878
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene
SMILESC=CC(C=C)OC(C=C)C=C.C=Cc1cccc2ccccc12
InChIInChI=1S/C12H10.C10H14O/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5-9(6-2)11-10(7-3)8-4/h2-9H,1H2;5-10H,1-4H2
InChIKeyYYGLNLGYEITWQH-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene?
The IUPAC name of 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene (CID 67613878) is 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene.
What is the SMILES notation for 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene?
The canonical SMILES for 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene is C=CC(C=C)OC(C=C)C=C.C=Cc1cccc2ccccc12.
What is the InChIKey of 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene?
The InChIKey is YYGLNLGYEITWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H14O/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-5-9(6-2)11-10(7-3)8-4/h2-9H,1H2;5-10H,1-4H2.
What are the key properties of 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene?
1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene has a molecular weight of 304.43 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylnaphthalene;3-penta-1,4-dien-3-yloxypenta-1,4-diene is sourced from PubChem (CID 67613878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).