2-formyloxane-2-carboxylic acid

C7H10O4 — CID 141434966

IUPAC2-formyloxane-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCCCO1
InChIInChI=1S/C7H10O4/c8-5-7(6(9)10)3-1-2-4-11-7/h5H,1-4H2,(H,9,10)
InChIKeyNFXGGKDOVJJNAS-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.21
Rot. Bonds2

About 2-formyloxane-2-carboxylic acid

2-formyloxane-2-carboxylic acid (PubChem CID 141434966) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-formyloxane-2-carboxylic acid.

Molecular Properties

Compound Name2-formyloxane-2-carboxylic acid
PubChem CID141434966
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-formyloxane-2-carboxylic acid
SMILESO=CC1(C(=O)O)CCCCO1
InChIInChI=1S/C7H10O4/c8-5-7(6(9)10)3-1-2-4-11-7/h5H,1-4H2,(H,9,10)
InChIKeyNFXGGKDOVJJNAS-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.21
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

ethyl (2S)-2-formyloxane-2-carboxylate
CID 129408231
cyclohexane-1,1-dicarbaldehyde;cyclohexane-1,1-dicarboxylic acid
CID 175916236
2-ethenyloxirane-2-carboxylic acid
CID 175491624
2-formyl-3,4-dihydropyran-2-carboxylic acid
CID 18955221
2-formamidooxolane-2-carboxylic acid
CID 142369386
oxolane-2,2-dicarboxylic acid;hydrochloride
CID 69015616
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311

Frequently Asked Questions

What is the IUPAC name of 2-formyloxane-2-carboxylic acid?
The IUPAC name of 2-formyloxane-2-carboxylic acid (CID 141434966) is 2-formyloxane-2-carboxylic acid.
What is the SMILES notation for 2-formyloxane-2-carboxylic acid?
The canonical SMILES for 2-formyloxane-2-carboxylic acid is O=CC1(C(=O)O)CCCCO1.
What is the InChIKey of 2-formyloxane-2-carboxylic acid?
The InChIKey is NFXGGKDOVJJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c8-5-7(6(9)10)3-1-2-4-11-7/h5H,1-4H2,(H,9,10).
What are the key properties of 2-formyloxane-2-carboxylic acid?
2-formyloxane-2-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxane-2-carboxylic acid is sourced from PubChem (CID 141434966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).