(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one

C17H18O5 — CID 24861971

IUPAC(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one
SMILESCOCc1ccc(/C=C/C(=O)/C=C/c2ccc(COC)o2)o1
InChIInChI=1S/C17H18O5/c1-19-11-16-9-7-14(21-16)5-3-13(18)4-6-15-8-10-17(22-15)12-20-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyJXSIYONFHUZLPT-GGWOSOGESA-N
MW302.33 g/mol
LogP3.46
Rot. Bonds8

About (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one

(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one (PubChem CID 24861971) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one
PubChem CID24861971
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one
SMILESCOCc1ccc(/C=C/C(=O)/C=C/c2ccc(COC)o2)o1
InChIInChI=1S/C17H18O5/c1-19-11-16-9-7-14(21-16)5-3-13(18)4-6-15-8-10-17(22-15)12-20-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+
InChIKeyJXSIYONFHUZLPT-GGWOSOGESA-N
XLogP3.46
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one (CID 24861971) is (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one is COCc1ccc(/C=C/C(=O)/C=C/c2ccc(COC)o2)o1.
What is the InChIKey of (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one?
The InChIKey is JXSIYONFHUZLPT-GGWOSOGESA-N. The full InChI is InChI=1S/C17H18O5/c1-19-11-16-9-7-14(21-16)5-3-13(18)4-6-15-8-10-17(22-15)12-20-2/h3-10H,11-12H2,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one?
(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one has a molecular weight of 302.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one is sourced from PubChem (CID 24861971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).