(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen

C23H30O9 — CID 163692906

IUPAC(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen
SMILESCCc1ccc(CO)o1.O=Cc1ccc(CO)o1.O=Cc1ccco1.OCc1ccco1.[H][H].[H][H]
InChIInChI=1S/C7H10O2.C6H6O3.C5H6O2.C5H4O2.2H2/c1-2-6-3-4-7(5-8)9-6;7-3-5-1-2-6(4-8)9-5;2*6-4-5-2-1-3-7-5;;/h3-4,8H,2,5H2,1H3;1-3,8H,4H2;1-3,6H,4H2;1-4H;2*1H
InChIKeyJULWKIDROVWROK-UHFFFAOYSA-N
MW450.48 g/mol
LogP4.27
Rot. Bonds6

About (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen

(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen (PubChem CID 163692906) has the molecular formula C23H30O9 and a molecular weight of 450.48 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen
PubChem CID163692906
Molecular FormulaC23H30O9
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen
SMILESCCc1ccc(CO)o1.O=Cc1ccc(CO)o1.O=Cc1ccco1.OCc1ccco1.[H][H].[H][H]
InChIInChI=1S/C7H10O2.C6H6O3.C5H6O2.C5H4O2.2H2/c1-2-6-3-4-7(5-8)9-6;7-3-5-1-2-6(4-8)9-5;2*6-4-5-2-1-3-7-5;;/h3-4,8H,2,5H2,1H3;1-3,8H,4H2;1-3,6H,4H2;1-4H;2*1H
InChIKeyJULWKIDROVWROK-UHFFFAOYSA-N
XLogP4.27
TPSA147.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
CID 171374623
CID 171374623
furan-2-carbaldehyde
CID 76972982
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928
(5-ethylfuran-2-yl)methanol;prop-2-enal
CID 175292814
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
CID 175710332
CID 175710332
furan-2-carbaldehyde;nickel
CID 174724529
azane;furan-2-carbaldehyde
CID 19372392
furan-2-carbaldehyde;2-methylbutanal;5-methylfuran-2-carbaldehyde
CID 87704681
furan-2-carbaldehyde;methoxymethane
CID 175302588
furan-2-ylmethanol;4-oxopentanoic acid
CID 174653424

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen?
The IUPAC name of (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen (CID 163692906) is (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen.
What is the SMILES notation for (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen?
The canonical SMILES for (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen is CCc1ccc(CO)o1.O=Cc1ccc(CO)o1.O=Cc1ccco1.OCc1ccco1.[H][H].[H][H].
What is the InChIKey of (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen?
The InChIKey is JULWKIDROVWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C6H6O3.C5H6O2.C5H4O2.2H2/c1-2-6-3-4-7(5-8)9-6;7-3-5-1-2-6(4-8)9-5;2*6-4-5-2-1-3-7-5;;/h3-4,8H,2,5H2,1H3;1-3,8H,4H2;1-3,6H,4H2;1-4H;2*1H.
What are the key properties of (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen?
(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen has a molecular weight of 450.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen is sourced from PubChem (CID 163692906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).