2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione

C20H26O8 — CID 132569255

IUPAC2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
SMILESCOCCOCCOC1=C(OCCOCCOC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H26O8/c1-23-7-9-25-11-13-27-19-17(21)15-5-3-4-6-16(15)18(22)20(19)28-14-12-26-10-8-24-2/h3-6H,7-14H2,1-2H3
InChIKeyLXWPDUFDXPJLSM-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.64
Rot. Bonds14

About 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione

2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione (PubChem CID 132569255) has the molecular formula C20H26O8 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
PubChem CID132569255
Molecular FormulaC20H26O8
Molecular Weight394.42 g/mol
Exact Mass394.16
IUPAC Name2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
SMILESCOCCOCCOC1=C(OCCOCCOC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H26O8/c1-23-7-9-25-11-13-27-19-17(21)15-5-3-4-6-16(15)18(22)20(19)28-14-12-26-10-8-24-2/h3-6H,7-14H2,1-2H3
InChIKeyLXWPDUFDXPJLSM-UHFFFAOYSA-N
XLogP1.64
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
2-chloro-3-[2-[2-(3-chloro-1,4-dioxonaphthalen-2-yl)oxyethoxy]ethoxy]naphthalene-1,4-dione
CID 13445965
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-[2-[1-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 134268269
2-[3-[2-(2-methoxyethoxy)ethoxy]propyl]naphthalene-1,4-dione
CID 159661269
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
CID 170638975
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
CID 165009765
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 176989880

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione?
The IUPAC name of 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione (CID 132569255) is 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione.
What is the SMILES notation for 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione?
The canonical SMILES for 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione is COCCOCCOC1=C(OCCOCCOC)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione?
The InChIKey is LXWPDUFDXPJLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8/c1-23-7-9-25-11-13-27-19-17(21)15-5-3-4-6-16(15)18(22)20(19)28-14-12-26-10-8-24-2/h3-6H,7-14H2,1-2H3.
What are the key properties of 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione?
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione has a molecular weight of 394.42 g/mol, XLogP of 1.64, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione is sourced from PubChem (CID 132569255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).