(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen

C16H24O8 — CID 158130539

IUPAC(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen
SMILESCC(=O)OCC1CCC(CO)O1.CC(=O)OCc1ccc(C=O)o1.[H][H]
InChIInChI=1S/C8H14O4.C8H8O4.H2/c2*1-6(10)11-5-8-3-2-7(4-9)12-8;/h7-9H,2-5H2,1H3;2-4H,5H2,1H3;1H
InChIKeyFSSJWSWMFJHVJK-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.49
Rot. Bonds6

About (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen

(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen (PubChem CID 158130539) has the molecular formula C16H24O8 and a molecular weight of 344.36 g/mol. Its IUPAC name is (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen.

Molecular Properties

Compound Name(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen
PubChem CID158130539
Molecular FormulaC16H24O8
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen
SMILESCC(=O)OCC1CCC(CO)O1.CC(=O)OCc1ccc(C=O)o1.[H][H]
InChIInChI=1S/C8H14O4.C8H8O4.H2/c2*1-6(10)11-5-8-3-2-7(4-9)12-8;/h7-9H,2-5H2,1H3;2-4H,5H2,1H3;1H
InChIKeyFSSJWSWMFJHVJK-UHFFFAOYSA-N
XLogP1.49
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)furan-2-carbaldehyde;(5-formylfuran-2-yl)methyl acetate
CID 175563077
sodium;5-(chloromethyl)furan-2-carbaldehyde;(5-formylfuran-2-yl)methyl acetate;acetate
CID 160658060
[3-acetyloxy-6-[(5-formylfuran-2-yl)methoxy]-5-iodo-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 146164666
(5-formylfuran-2-yl)methyl 2-methylbutan-2-yl carbonate;molecular hydrogen
CID 145448996
(5-acetylfuran-2-yl)methyl (1R)-3-oxocyclopentane-1-carboxylate;(5-formylfuran-2-yl)methyl (1S)-3-oxocyclopentane-1-carboxylate
CID 159112103
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
(5-formylfuran-2-yl)methyl pyridine-4-carboxylate
CID 126696505
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
3-[5-(acetyloxymethyl)oxolan-2-yl]prop-2-enoic acid
CID 175935617
5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furan-2-carbaldehyde
CID 11594441
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde
CID 102607069

Frequently Asked Questions

What is the IUPAC name of (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen?
The IUPAC name of (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen (CID 158130539) is (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen.
What is the SMILES notation for (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen?
The canonical SMILES for (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen is CC(=O)OCC1CCC(CO)O1.CC(=O)OCc1ccc(C=O)o1.[H][H].
What is the InChIKey of (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen?
The InChIKey is FSSJWSWMFJHVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C8H8O4.H2/c2*1-6(10)11-5-8-3-2-7(4-9)12-8;/h7-9H,2-5H2,1H3;2-4H,5H2,1H3;1H.
What are the key properties of (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen?
(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen has a molecular weight of 344.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen is sourced from PubChem (CID 158130539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).