methanol;3-methoxyoxolane-2-carboxylic acid

C7H14O5 — CID 142910023

IUPACmethanol;3-methoxyoxolane-2-carboxylic acid
SMILESCO.COC1CCOC1C(=O)O
InChIInChI=1S/C6H10O4.CH4O/c1-9-4-2-3-10-5(4)6(7)8;1-2/h4-5H,2-3H2,1H3,(H,7,8);2H,1H3
InChIKeyJLDLGMWEKZGXGQ-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.52
Rot. Bonds2

About methanol;3-methoxyoxolane-2-carboxylic acid

methanol;3-methoxyoxolane-2-carboxylic acid (PubChem CID 142910023) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is methanol;3-methoxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Namemethanol;3-methoxyoxolane-2-carboxylic acid
PubChem CID142910023
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namemethanol;3-methoxyoxolane-2-carboxylic acid
SMILESCO.COC1CCOC1C(=O)O
InChIInChI=1S/C6H10O4.CH4O/c1-9-4-2-3-10-5(4)6(7)8;1-2/h4-5H,2-3H2,1H3,(H,7,8);2H,1H3
InChIKeyJLDLGMWEKZGXGQ-UHFFFAOYSA-N
XLogP-0.52
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;3-methoxyoxolane-2-carboxylic acid?
The IUPAC name of methanol;3-methoxyoxolane-2-carboxylic acid (CID 142910023) is methanol;3-methoxyoxolane-2-carboxylic acid.
What is the SMILES notation for methanol;3-methoxyoxolane-2-carboxylic acid?
The canonical SMILES for methanol;3-methoxyoxolane-2-carboxylic acid is CO.COC1CCOC1C(=O)O.
What is the InChIKey of methanol;3-methoxyoxolane-2-carboxylic acid?
The InChIKey is JLDLGMWEKZGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.CH4O/c1-9-4-2-3-10-5(4)6(7)8;1-2/h4-5H,2-3H2,1H3,(H,7,8);2H,1H3.
What are the key properties of methanol;3-methoxyoxolane-2-carboxylic acid?
methanol;3-methoxyoxolane-2-carboxylic acid has a molecular weight of 178.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methoxyoxolane-2-carboxylic acid is sourced from PubChem (CID 142910023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).