2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

C19H28O4 — CID 172776061

IUPAC2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCCCC=CC1=C(C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C19H28O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h12-13H,5-11H2,1-4H3
InChIKeyNPMFRIBPCASHDE-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.27
Rot. Bonds10

About 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 172776061) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID172776061
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCCCCCC=CC1=C(C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C19H28O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h12-13H,5-11H2,1-4H3
InChIKeyNPMFRIBPCASHDE-UHFFFAOYSA-N
XLogP4.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 15294744
1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
ethyl 2-dodec-1-enyl-6-methoxybenzoate
CID 57400170
5-ethoxy-2-hydroxy-3-[(Z)-tridec-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 141059880
3-hept-1-enyl-4-hydroxynaphthalene-1,2-dione
CID 71334548
(1,4-dioxo-3-tridec-1-enylnaphthalen-2-yl) butanoate
CID 139629478
methyl 2-methoxy-6-pentadec-1-enylbenzoate
CID 68929291
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (CID 172776061) is 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione is CCCCCCCCC=CC1=C(C)C(=O)C(OC)=C(OC)C1=O.
What is the InChIKey of 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is NPMFRIBPCASHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 320.43 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-enyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 172776061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).