(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione

C17H20O4 — CID 15004573

IUPAC(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione
SMILESC=CCCC/C=C1\CCC2=C1C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C17H20O4/c1-4-5-6-7-8-11-9-10-12-13(11)15(19)17(21-3)16(20-2)14(12)18/h4,8H,1,5-7,9-10H2,2-3H3/b11-8+
InChIKeyDIPFHRIPJPTGQE-DHZHZOJOSA-N
MW288.34 g/mol
LogP3.02
Rot. Bonds6

About (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione

(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione (PubChem CID 15004573) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione.

Molecular Properties

Compound Name(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione
PubChem CID15004573
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione
SMILESC=CCCC/C=C1\CCC2=C1C(=O)C(OC)=C(OC)C2=O
InChIInChI=1S/C17H20O4/c1-4-5-6-7-8-11-9-10-12-13(11)15(19)17(21-3)16(20-2)14(12)18/h4,8H,1,5-7,9-10H2,2-3H3/b11-8+
InChIKeyDIPFHRIPJPTGQE-DHZHZOJOSA-N
XLogP3.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Decylubiquinone
CID 2971
Irisquinone
CID 5318483
Primin
CID 84800
5-O-Methylembelin
CID 171489
Sorgoleone
CID 6475682
Pallasone A
CID 5928229
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2-Methoxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
CID 71345494
2-Methoxy-6-tridecyl-1,4-benzoquinone
CID 10087379
Sorgoleone 358
CID 14427830
2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
CID 5086864
2,5-dimethoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]cyclohexa-2,5-diene-1,4-dione
CID 21668690

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione?
The IUPAC name of (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione (CID 15004573) is (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione.
What is the SMILES notation for (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione?
The canonical SMILES for (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione is C=CCCC/C=C1\CCC2=C1C(=O)C(OC)=C(OC)C2=O.
What is the InChIKey of (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione?
The InChIKey is DIPFHRIPJPTGQE-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H20O4/c1-4-5-6-7-8-11-9-10-12-13(11)15(19)17(21-3)16(20-2)14(12)18/h4,8H,1,5-7,9-10H2,2-3H3/b11-8+.
What are the key properties of (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione?
(3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione has a molecular weight of 288.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hex-5-enylidene-5,6-dimethoxy-1,2-dihydroindene-4,7-dione is sourced from PubChem (CID 15004573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).