1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol

C15H16O6 — CID 70535649

IUPAC1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol
SMILESOCC(CO)(C(O)=Cc1ccco1)C(O)=Cc1ccco1
InChIInChI=1S/C15H16O6/c16-9-15(10-17,13(18)7-11-3-1-5-20-11)14(19)8-12-4-2-6-21-12/h1-8,16-19H,9-10H2
InChIKeyCNZDXNXKQPSVLD-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.34
Rot. Bonds6

About 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol

1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol (PubChem CID 70535649) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol.

Molecular Properties

Compound Name1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol
PubChem CID70535649
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol
SMILESOCC(CO)(C(O)=Cc1ccco1)C(O)=Cc1ccco1
InChIInChI=1S/C15H16O6/c16-9-15(10-17,13(18)7-11-3-1-5-20-11)14(19)8-12-4-2-6-21-12/h1-8,16-19H,9-10H2
InChIKeyCNZDXNXKQPSVLD-UHFFFAOYSA-N
XLogP2.34
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 119081936
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CID 18595236
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
3-(furan-2-yl)-2-methoxyprop-2-en-1-amine
CID 70452275
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid
CID 149365337
CID 58652123
CID 58652123
furan-2-carbaldehyde
CID 76972982
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
2-(furan-2-ylmethylidene)-4-nitrobutanoic acid
CID 175921015

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol?
The IUPAC name of 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol (CID 70535649) is 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol.
What is the SMILES notation for 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol?
The canonical SMILES for 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol is OCC(CO)(C(O)=Cc1ccco1)C(O)=Cc1ccco1.
What is the InChIKey of 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol?
The InChIKey is CNZDXNXKQPSVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c16-9-15(10-17,13(18)7-11-3-1-5-20-11)14(19)8-12-4-2-6-21-12/h1-8,16-19H,9-10H2.
What are the key properties of 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol?
1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol has a molecular weight of 292.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol is sourced from PubChem (CID 70535649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).