2-oxo-2-(oxolan-2-ylmethoxy)acetic acid

C7H10O5 — CID 154107225

IUPAC2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
SMILESO=C(O)C(=O)OCC1CCCO1
InChIInChI=1S/C7H10O5/c8-6(9)7(10)12-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)
InChIKeyBFTDXEYCYVBGNW-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.21
Rot. Bonds2

About 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid

2-oxo-2-(oxolan-2-ylmethoxy)acetic acid (PubChem CID 154107225) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
PubChem CID154107225
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
SMILESO=C(O)C(=O)OCC1CCCO1
InChIInChI=1S/C7H10O5/c8-6(9)7(10)12-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)
InChIKeyBFTDXEYCYVBGNW-UHFFFAOYSA-N
XLogP-0.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethyl 2-iodoprop-2-enoate
CID 71551537
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid?
The IUPAC name of 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid (CID 154107225) is 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid is O=C(O)C(=O)OCC1CCCO1.
What is the InChIKey of 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid?
The InChIKey is BFTDXEYCYVBGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-6(9)7(10)12-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9).
What are the key properties of 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid?
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid has a molecular weight of 174.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(oxolan-2-ylmethoxy)acetic acid is sourced from PubChem (CID 154107225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).