2-formyl-3,4-dihydropyran-2-carboxylic acid

C7H8O4 — CID 18955221

IUPAC2-formyl-3,4-dihydropyran-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCC=CO1
InChIInChI=1S/C7H8O4/c8-5-7(6(9)10)3-1-2-4-11-7/h2,4-5H,1,3H2,(H,9,10)
InChIKeyBTLTYOKSJYHFAK-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.33
Rot. Bonds2

About 2-formyl-3,4-dihydropyran-2-carboxylic acid

2-formyl-3,4-dihydropyran-2-carboxylic acid (PubChem CID 18955221) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-formyl-3,4-dihydropyran-2-carboxylic acid.

Molecular Properties

Compound Name2-formyl-3,4-dihydropyran-2-carboxylic acid
PubChem CID18955221
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-formyl-3,4-dihydropyran-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCC=CO1
InChIInChI=1S/C7H8O4/c8-5-7(6(9)10)3-1-2-4-11-7/h2,4-5H,1,3H2,(H,9,10)
InChIKeyBTLTYOKSJYHFAK-UHFFFAOYSA-N
XLogP0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
CID 121475933
2-(oxan-4-yl)-3,4-dihydropyran-2-carboxylic acid
CID 130656125
2-formyloxane-2-carboxylic acid
CID 141434966
3H-furan-2,2-dicarbaldehyde
CID 175668219
2-ethenyloxirane-2-carboxylic acid
CID 175491624
(2-methyl-3,4-dihydropyran-2-yl)methyl but-2-enoate
CID 54477396
(1S)-1-[(1S)-1-carboxycyclohex-3-en-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 175074133
2-(2-hydroxy-3H-furan-2-yl)acetic acid
CID 141431436
(4Z)-1-hydroxycyclooct-4-ene-1-carboxylic acid
CID 155414778
2-phenyl-3H-furan-2-carboxylic acid
CID 151281654
2-methoxycarbonyl-3H-furan-2-carboxylic acid
CID 141135172
1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde
CID 143730561

Frequently Asked Questions

What is the IUPAC name of 2-formyl-3,4-dihydropyran-2-carboxylic acid?
The IUPAC name of 2-formyl-3,4-dihydropyran-2-carboxylic acid (CID 18955221) is 2-formyl-3,4-dihydropyran-2-carboxylic acid.
What is the SMILES notation for 2-formyl-3,4-dihydropyran-2-carboxylic acid?
The canonical SMILES for 2-formyl-3,4-dihydropyran-2-carboxylic acid is O=CC1(C(=O)O)CCC=CO1.
What is the InChIKey of 2-formyl-3,4-dihydropyran-2-carboxylic acid?
The InChIKey is BTLTYOKSJYHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-7(6(9)10)3-1-2-4-11-7/h2,4-5H,1,3H2,(H,9,10).
What are the key properties of 2-formyl-3,4-dihydropyran-2-carboxylic acid?
2-formyl-3,4-dihydropyran-2-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3,4-dihydropyran-2-carboxylic acid is sourced from PubChem (CID 18955221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).