2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one

C16H22O3 — CID 163768083

IUPAC2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=C(C/C=C(\C)CC)C(=O)C(OC)=C1OC
InChIInChI=1S/C16H22O3/c1-7-10(2)8-9-13-11(3)12(4)15(18-5)16(19-6)14(13)17/h8H,4,7,9H2,1-3,5-6H3/b10-8+
InChIKeyMEBRDJGFVXKRMP-CSKARUKUSA-N
MW262.35 g/mol
LogP3.69
Rot. Bonds5

About 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one

2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one (PubChem CID 163768083) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one
PubChem CID163768083
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one
SMILESC=C1C(C)=C(C/C=C(\C)CC)C(=O)C(OC)=C1OC
InChIInChI=1S/C16H22O3/c1-7-10(2)8-9-13-11(3)12(4)15(18-5)16(19-6)14(13)17/h8H,4,7,9H2,1-3,5-6H3/b10-8+
InChIKeyMEBRDJGFVXKRMP-CSKARUKUSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Coenzyme Q10
CID 5281915
Coenzyme Q1
CID 4462
Coenzyme Q2
CID 5280346
Ubiquinone 9
CID 5280473
CoQ4
CID 5283545
Ubiquinone 8
CID 5283546
Coenzyme Q6
CID 5283544
Coenzyme Q7
CID 5289540
2,3-Dimethoxy-5-methyl-6-(farnesylfarnesyl)-1,4-benzoquinone
CID 98470
2-Hexaprenyl-6-methoxy-1,4-benzoquinone
CID 5280826
2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone
CID 5280827
2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
CID 1157

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one?
The IUPAC name of 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one (CID 163768083) is 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one is C=C1C(C)=C(C/C=C(\C)CC)C(=O)C(OC)=C1OC.
What is the InChIKey of 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one?
The InChIKey is MEBRDJGFVXKRMP-CSKARUKUSA-N. The full InChI is InChI=1S/C16H22O3/c1-7-10(2)8-9-13-11(3)12(4)15(18-5)16(19-6)14(13)17/h8H,4,7,9H2,1-3,5-6H3/b10-8+.
What are the key properties of 2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one?
2,3-dimethoxy-5-methyl-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.69, 5 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-4-methylidene-6-[(E)-3-methylpent-2-enyl]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 163768083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).