6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione

C22H28O5 — CID 10809297

IUPAC6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCCCCCCCCC(=O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O
InChIInChI=1S/C22H28O5/c1-4-5-6-7-8-9-10-11-16(23)15-14-19(26-2)20-17(24)12-13-18(25)21(20)22(15)27-3/h12-14H,4-11H2,1-3H3
InChIKeyZLEGQDOLOYMJQB-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.96
Rot. Bonds11

About 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione

6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 10809297) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID10809297
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCCCCCCCCC(=O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O
InChIInChI=1S/C22H28O5/c1-4-5-6-7-8-9-10-11-16(23)15-14-19(26-2)20-17(24)12-13-18(25)21(20)22(15)27-3/h12-14H,4-11H2,1-3H3
InChIKeyZLEGQDOLOYMJQB-UHFFFAOYSA-N
XLogP4.96
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-[(E)-C-heptyl-N-hydroxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10594625
6-(C-hexyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 86206538
5,8-dimethoxy-6-[(Z)-C-nonyl-N-propoxycarbonimidoyl]naphthalene-1,4-dione
CID 177424672
6-[(E)-C-decyl-N-propoxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10551239
1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)heptyl hexanoate
CID 11004512
[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)pentylideneamino] propanoate
CID 142629355
1-(1,4,5,8-tetramethoxynaphthalen-2-yl)decan-1-one
CID 10834959
1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
CID 71424697
1-(4,5-diamino-2-methoxyphenyl)octadecan-1-one
CID 154279335
6-(C-ethyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 85240408
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
[[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)-4-methylpentylidene]amino] propanoate
CID 142629327

Frequently Asked Questions

What is the IUPAC name of 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione (CID 10809297) is 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione is CCCCCCCCCC(=O)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O.
What is the InChIKey of 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is ZLEGQDOLOYMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-4-5-6-7-8-9-10-11-16(23)15-14-19(26-2)20-17(24)12-13-18(25)21(20)22(15)27-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione?
6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 372.46 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decanoyl-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 10809297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).