2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid

C10H16O4 — CID 101115130

IUPAC2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid
SMILESC=CCO[C@H]1CCCO[C@@H]1CC(=O)O
InChIInChI=1S/C10H16O4/c1-2-5-13-8-4-3-6-14-9(8)7-10(11)12/h2,8-9H,1,3-7H2,(H,11,12)/t8-,9+/m0/s1
InChIKeyHFYSJLPOMBWSEJ-DTWKUNHWSA-N
MW200.23 g/mol
LogP1.21
Rot. Bonds5

About 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid

2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid (PubChem CID 101115130) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid
PubChem CID101115130
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid
SMILESC=CCO[C@H]1CCCO[C@@H]1CC(=O)O
InChIInChI=1S/C10H16O4/c1-2-5-13-8-4-3-6-14-9(8)7-10(11)12/h2,8-9H,1,3-7H2,(H,11,12)/t8-,9+/m0/s1
InChIKeyHFYSJLPOMBWSEJ-DTWKUNHWSA-N
XLogP1.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid (CID 101115130) is 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid is C=CCO[C@H]1CCCO[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid?
The InChIKey is HFYSJLPOMBWSEJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-5-13-8-4-3-6-14-9(8)7-10(11)12/h2,8-9H,1,3-7H2,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid?
2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-prop-2-enoxyoxan-2-yl]acetic acid is sourced from PubChem (CID 101115130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).