oxetan-2-ylmethyl prop-2-enoate

C7H10O3 — CID 23067256

IUPACoxetan-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CCO1
InChIInChI=1S/C7H10O3/c1-2-7(8)10-5-6-3-4-9-6/h2,6H,1,3-5H2
InChIKeyPBHPFFDRTUWVIT-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds3

About oxetan-2-ylmethyl prop-2-enoate

oxetan-2-ylmethyl prop-2-enoate (PubChem CID 23067256) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is oxetan-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Nameoxetan-2-ylmethyl prop-2-enoate
PubChem CID23067256
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Nameoxetan-2-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCC1CCO1
InChIInChI=1S/C7H10O3/c1-2-7(8)10-5-6-3-4-9-6/h2,6H,1,3-5H2
InChIKeyPBHPFFDRTUWVIT-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
(Z)-but-2-enedioic acid;oxiran-2-ylmethyl prop-2-enoate
CID 174820193
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl prop-2-enoate
CID 159926825

Frequently Asked Questions

What is the IUPAC name of oxetan-2-ylmethyl prop-2-enoate?
The IUPAC name of oxetan-2-ylmethyl prop-2-enoate (CID 23067256) is oxetan-2-ylmethyl prop-2-enoate.
What is the SMILES notation for oxetan-2-ylmethyl prop-2-enoate?
The canonical SMILES for oxetan-2-ylmethyl prop-2-enoate is C=CC(=O)OCC1CCO1.
What is the InChIKey of oxetan-2-ylmethyl prop-2-enoate?
The InChIKey is PBHPFFDRTUWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(8)10-5-6-3-4-9-6/h2,6H,1,3-5H2.
What are the key properties of oxetan-2-ylmethyl prop-2-enoate?
oxetan-2-ylmethyl prop-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 23067256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).