2,3,6,7-tetrakis(ethenoxy)naphthalene

C18H16O4 — CID 118013817

IUPAC2,3,6,7-tetrakis(ethenoxy)naphthalene
SMILESC=COc1cc2cc(OC=C)c(OC=C)cc2cc1OC=C
InChIInChI=1S/C18H16O4/c1-5-19-15-9-13-11-17(21-7-3)18(22-8-4)12-14(13)10-16(15)20-6-2/h5-12H,1-4H2
InChIKeySHHQBKCNLZURDD-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.93
Rot. Bonds8

About 2,3,6,7-tetrakis(ethenoxy)naphthalene

2,3,6,7-tetrakis(ethenoxy)naphthalene (PubChem CID 118013817) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,3,6,7-tetrakis(ethenoxy)naphthalene.

Molecular Properties

Compound Name2,3,6,7-tetrakis(ethenoxy)naphthalene
PubChem CID118013817
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2,3,6,7-tetrakis(ethenoxy)naphthalene
SMILESC=COc1cc2cc(OC=C)c(OC=C)cc2cc1OC=C
InChIInChI=1S/C18H16O4/c1-5-19-15-9-13-11-17(21-7-3)18(22-8-4)12-14(13)10-16(15)20-6-2/h5-12H,1-4H2
InChIKeySHHQBKCNLZURDD-UHFFFAOYSA-N
XLogP4.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrakis(ethenoxy)naphthalene?
The IUPAC name of 2,3,6,7-tetrakis(ethenoxy)naphthalene (CID 118013817) is 2,3,6,7-tetrakis(ethenoxy)naphthalene.
What is the SMILES notation for 2,3,6,7-tetrakis(ethenoxy)naphthalene?
The canonical SMILES for 2,3,6,7-tetrakis(ethenoxy)naphthalene is C=COc1cc2cc(OC=C)c(OC=C)cc2cc1OC=C.
What is the InChIKey of 2,3,6,7-tetrakis(ethenoxy)naphthalene?
The InChIKey is SHHQBKCNLZURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-5-19-15-9-13-11-17(21-7-3)18(22-8-4)12-14(13)10-16(15)20-6-2/h5-12H,1-4H2.
What are the key properties of 2,3,6,7-tetrakis(ethenoxy)naphthalene?
2,3,6,7-tetrakis(ethenoxy)naphthalene has a molecular weight of 296.32 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrakis(ethenoxy)naphthalene is sourced from PubChem (CID 118013817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).