7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione

C20H26O6 — CID 101259804

IUPAC7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione
SMILESCOCCOCOC1=C(CC=C(C)C)C(=O)C2=C(OC(C)(C)C=C2)C1=O
InChIInChI=1S/C20H26O6/c1-13(2)6-7-14-16(21)15-8-9-20(3,4)26-19(15)17(22)18(14)25-12-24-11-10-23-5/h6,8-9H,7,10-12H2,1-5H3
InChIKeyLARUOIUQAHLDSA-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.00
Rot. Bonds8

About 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione

7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione (PubChem CID 101259804) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione.

Molecular Properties

Compound Name7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione
PubChem CID101259804
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione
SMILESCOCCOCOC1=C(CC=C(C)C)C(=O)C2=C(OC(C)(C)C=C2)C1=O
InChIInChI=1S/C20H26O6/c1-13(2)6-7-14-16(21)15-8-9-20(3,4)26-19(15)17(22)18(14)25-12-24-11-10-23-5/h6,8-9H,7,10-12H2,1-5H3
InChIKeyLARUOIUQAHLDSA-UHFFFAOYSA-N
XLogP3.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(2E,4E)-hexa-2,4-dienoyl]-4a,8-dimethyl-1,4-benzodioxine-3,7-dione
CID 11323678
methyl (1Z)-6-oxo-8,10-dioxatricyclo[10.4.0.02,7]hexadeca-1,3,11,13-tetraene-9-carboxylate
CID 57196043
[2,2-Dimethyl-6-(3-methylbut-2-enyl)-5,8-dioxochromen-7-yl] acetate
CID 101732785
6-methoxy-2,2-dimethyl-8,8-bis(2-methylbut-3-en-2-yloxy)-4H-1,3-benzodioxin-7-one
CID 102255915
6-methoxy-2,2-dimethyl-7,7-bis(2-methylbut-3-en-2-yloxy)-4H-1,3-benzodioxin-8-one
CID 102255916

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione?
The IUPAC name of 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione (CID 101259804) is 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione.
What is the SMILES notation for 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione?
The canonical SMILES for 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione is COCCOCOC1=C(CC=C(C)C)C(=O)C2=C(OC(C)(C)C=C2)C1=O.
What is the InChIKey of 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione?
The InChIKey is LARUOIUQAHLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-13(2)6-7-14-16(21)15-8-9-20(3,4)26-19(15)17(22)18(14)25-12-24-11-10-23-5/h6,8-9H,7,10-12H2,1-5H3.
What are the key properties of 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione?
7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione has a molecular weight of 362.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxymethoxy)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromene-5,8-dione is sourced from PubChem (CID 101259804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).