2-(hydroxymethyl)oxolane-2-carboxylic acid

C6H10O4 — CID 55301808

IUPAC2-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CO)CCCO1
InChIInChI=1S/C6H10O4/c7-4-6(5(8)9)2-1-3-10-6/h7H,1-4H2,(H,8,9)
InChIKeyLSKIQPLCZAULSB-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.39
Rot. Bonds2

About 2-(hydroxymethyl)oxolane-2-carboxylic acid

2-(hydroxymethyl)oxolane-2-carboxylic acid (PubChem CID 55301808) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)oxolane-2-carboxylic acid
PubChem CID55301808
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-(hydroxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1(CO)CCCO1
InChIInChI=1S/C6H10O4/c7-4-6(5(8)9)2-1-3-10-6/h7H,1-4H2,(H,8,9)
InChIKeyLSKIQPLCZAULSB-UHFFFAOYSA-N
XLogP-0.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)oxolane-2-carboxylic acid (CID 55301808) is 2-(hydroxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)oxolane-2-carboxylic acid is O=C(O)C1(CO)CCCO1.
What is the InChIKey of 2-(hydroxymethyl)oxolane-2-carboxylic acid?
The InChIKey is LSKIQPLCZAULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-4-6(5(8)9)2-1-3-10-6/h7H,1-4H2,(H,8,9).
What are the key properties of 2-(hydroxymethyl)oxolane-2-carboxylic acid?
2-(hydroxymethyl)oxolane-2-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 55301808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).