1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate

C10H16O4 — CID 138707568

IUPAC1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)COCC1CO1
InChIInChI=1S/C10H16O4/c1-3-8(14-10(11)4-2)5-12-6-9-7-13-9/h4,8-9H,2-3,5-7H2,1H3
InChIKeyFOLXYRHLRQPKFV-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds7

About 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate

1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate (PubChem CID 138707568) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
PubChem CID138707568
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)COCC1CO1
InChIInChI=1S/C10H16O4/c1-3-8(14-10(11)4-2)5-12-6-9-7-13-9/h4,8-9H,2-3,5-7H2,1H3
InChIKeyFOLXYRHLRQPKFV-UHFFFAOYSA-N
XLogP0.91
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
1-dimethylsilyloxybutan-2-yl prop-2-enoate
CID 173371383
1-dibutoxysilyloxybutan-2-yl prop-2-enoate
CID 175242964
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
CID 18949618
dodecan-3-yl prop-2-enoate
CID 543279
[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] prop-2-enoate
CID 22604997
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate?
The IUPAC name of 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate (CID 138707568) is 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate is C=CC(=O)OC(CC)COCC1CO1.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate?
The InChIKey is FOLXYRHLRQPKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-8(14-10(11)4-2)5-12-6-9-7-13-9/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate?
1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate is sourced from PubChem (CID 138707568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).