methyl oxolane-3-carboxylate

C6H10O3 — CID 10678263

IUPACmethyl oxolane-3-carboxylate
SMILESCOC(=O)C1CCOC1
InChIInChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3
InChIKeyHUTNCRJHLZDGPO-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.20
Rot. Bonds1

About methyl oxolane-3-carboxylate

methyl oxolane-3-carboxylate (PubChem CID 10678263) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is methyl oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl oxolane-3-carboxylate
PubChem CID10678263
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namemethyl oxolane-3-carboxylate
SMILESCOC(=O)C1CCOC1
InChIInChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3
InChIKeyHUTNCRJHLZDGPO-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl oxolane-3-carboxylate?
The IUPAC name of methyl oxolane-3-carboxylate (CID 10678263) is methyl oxolane-3-carboxylate.
What is the SMILES notation for methyl oxolane-3-carboxylate?
The canonical SMILES for methyl oxolane-3-carboxylate is COC(=O)C1CCOC1.
What is the InChIKey of methyl oxolane-3-carboxylate?
The InChIKey is HUTNCRJHLZDGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3.
What are the key properties of methyl oxolane-3-carboxylate?
methyl oxolane-3-carboxylate has a molecular weight of 130.14 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl oxolane-3-carboxylate is sourced from PubChem (CID 10678263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).