2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

C15H18O4 — CID 138981699

IUPAC2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C(C2C=CCCC2)=C(C)C1=O
InChIInChI=1S/C15H18O4/c1-9-11(10-7-5-4-6-8-10)13(17)15(19-3)14(18-2)12(9)16/h5,7,10H,4,6,8H2,1-3H3
InChIKeyWRZUJYHGNHIPAP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds3

About 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (PubChem CID 138981699) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID138981699
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
SMILESCOC1=C(OC)C(=O)C(C2C=CCCC2)=C(C)C1=O
InChIInChI=1S/C15H18O4/c1-9-11(10-7-5-4-6-8-10)13(17)15(19-3)14(18-2)12(9)16/h5,7,10H,4,6,8H2,1-3H3
InChIKeyWRZUJYHGNHIPAP-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione (CID 138981699) is 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione is COC1=C(OC)C(=O)C(C2C=CCCC2)=C(C)C1=O.
What is the InChIKey of 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is WRZUJYHGNHIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-11(10-7-5-4-6-8-10)13(17)15(19-3)14(18-2)12(9)16/h5,7,10H,4,6,8H2,1-3H3.
What are the key properties of 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione?
2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 262.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 138981699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).