propan-2-yl (2R)-oxirane-2-carboxylate

C6H10O3 — CID 150807258

IUPACpropan-2-yl (2R)-oxirane-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CO1
InChIInChI=1S/C6H10O3/c1-4(2)9-6(7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyKHDBNRZPFKJRSR-RXMQYKEDSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds2

About propan-2-yl (2R)-oxirane-2-carboxylate

propan-2-yl (2R)-oxirane-2-carboxylate (PubChem CID 150807258) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is propan-2-yl (2R)-oxirane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-oxirane-2-carboxylate
PubChem CID150807258
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namepropan-2-yl (2R)-oxirane-2-carboxylate
SMILESCC(C)OC(=O)[C@H]1CO1
InChIInChI=1S/C6H10O3/c1-4(2)9-6(7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyKHDBNRZPFKJRSR-RXMQYKEDSA-N
XLogP0.34
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-oxirane-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-oxirane-2-carboxylate (CID 150807258) is propan-2-yl (2R)-oxirane-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-oxirane-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-oxirane-2-carboxylate is CC(C)OC(=O)[C@H]1CO1.
What is the InChIKey of propan-2-yl (2R)-oxirane-2-carboxylate?
The InChIKey is KHDBNRZPFKJRSR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O3/c1-4(2)9-6(7)5-3-8-5/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of propan-2-yl (2R)-oxirane-2-carboxylate?
propan-2-yl (2R)-oxirane-2-carboxylate has a molecular weight of 130.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-oxirane-2-carboxylate is sourced from PubChem (CID 150807258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).