2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione

C15H18O4 — CID 166126825

IUPAC2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione
SMILESCC/C=C/C=C/C1(C)OC2=C(C(=O)OC(C)C2)C1=O
InChIInChI=1S/C15H18O4/c1-4-5-6-7-8-15(3)13(16)12-11(19-15)9-10(2)18-14(12)17/h5-8,10H,4,9H2,1-3H3/b6-5+,8-7+
InChIKeyPNWHUIURTXUWHC-BSWSSELBSA-N
MW262.31 g/mol
LogP2.46
Rot. Bonds3

About 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione

2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione (PubChem CID 166126825) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione.

Molecular Properties

Compound Name2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione
PubChem CID166126825
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione
SMILESCC/C=C/C=C/C1(C)OC2=C(C(=O)OC(C)C2)C1=O
InChIInChI=1S/C15H18O4/c1-4-5-6-7-8-15(3)13(16)12-11(19-15)9-10(2)18-14(12)17/h5-8,10H,4,9H2,1-3H3/b6-5+,8-7+
InChIKeyPNWHUIURTXUWHC-BSWSSELBSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione?
The IUPAC name of 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione (CID 166126825) is 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione.
What is the SMILES notation for 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione?
The canonical SMILES for 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione is CC/C=C/C=C/C1(C)OC2=C(C(=O)OC(C)C2)C1=O.
What is the InChIKey of 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione?
The InChIKey is PNWHUIURTXUWHC-BSWSSELBSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-5-6-7-8-15(3)13(16)12-11(19-15)9-10(2)18-14(12)17/h5-8,10H,4,9H2,1-3H3/b6-5+,8-7+.
What are the key properties of 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione?
2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione has a molecular weight of 262.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-6,7-dihydrofuro[3,2-c]pyran-3,4-dione is sourced from PubChem (CID 166126825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).