2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one

C15H20O3 — CID 163720950

IUPAC2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=C(CC=C(C)C)C(=O)C(OC)=C1OC
InChIInChI=1S/C15H20O3/c1-9(2)7-8-12-10(3)11(4)14(17-5)15(18-6)13(12)16/h7H,4,8H2,1-3,5-6H3
InChIKeyKRNNCHYUOOSUIT-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.30
Rot. Bonds4

About 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one

2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one (PubChem CID 163720950) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one
PubChem CID163720950
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=C(CC=C(C)C)C(=O)C(OC)=C1OC
InChIInChI=1S/C15H20O3/c1-9(2)7-8-12-10(3)11(4)14(17-5)15(18-6)13(12)16/h7H,4,8H2,1-3,5-6H3
InChIKeyKRNNCHYUOOSUIT-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

Coenzyme Q1
CID 4462
Coenzyme Q2
CID 5280346
CoQ4
CID 5283545
Lztwxxjtdlqtat-uhfffaoysa-
CID 21592367
Ubiquinone Q3
CID 6440937
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
CID 10902296
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 21587070
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 118734014
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 11197469
5-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 21777927
5-(3,7-Dimethylocta-2,6-dienyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 73837821
4-Methoxytoluchinon
CID 129628682

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one (CID 163720950) is 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one is C=C1C(C)=C(CC=C(C)C)C(=O)C(OC)=C1OC.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one?
The InChIKey is KRNNCHYUOOSUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)7-8-12-10(3)11(4)14(17-5)15(18-6)13(12)16/h7H,4,8H2,1-3,5-6H3.
What are the key properties of 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one?
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)-4-methylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 163720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).