1-prop-2-enoyloxypropyl but-2-enoate

C10H14O4 — CID 141048851

IUPAC1-prop-2-enoyloxypropyl but-2-enoate
SMILESC=CC(=O)OC(CC)OC(=O)C=CC
InChIInChI=1S/C10H14O4/c1-4-7-9(12)14-10(6-3)13-8(11)5-2/h4-5,7,10H,2,6H2,1,3H3
InChIKeyBILXINLEBOMSPG-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds5

About 1-prop-2-enoyloxypropyl but-2-enoate

1-prop-2-enoyloxypropyl but-2-enoate (PubChem CID 141048851) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-prop-2-enoyloxypropyl but-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoyloxypropyl but-2-enoate
PubChem CID141048851
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-prop-2-enoyloxypropyl but-2-enoate
SMILESC=CC(=O)OC(CC)OC(=O)C=CC
InChIInChI=1S/C10H14O4/c1-4-7-9(12)14-10(6-3)13-8(11)5-2/h4-5,7,10H,2,6H2,1,3H3
InChIKeyBILXINLEBOMSPG-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;4-oxo-4-(1-prop-2-enoyloxypropoxy)but-2-enoic acid
CID 173170823
1-dimethoxyphosphoryloxypropyl (E)-but-2-enoate
CID 141131521
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
3-methylpentan-2-yl but-2-enoate
CID 86762558
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate
CID 175454152
CID 172734708
CID 172734708
1-tris(prop-1-en-2-yloxy)silyloxypropyl prop-2-enoate
CID 18477240
CID 177132586
CID 177132586
1-(3-prop-2-enoyloxypropanoyloxy)propyl 3-prop-2-enoyloxypropanoate
CID 141139958

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxypropyl but-2-enoate?
The IUPAC name of 1-prop-2-enoyloxypropyl but-2-enoate (CID 141048851) is 1-prop-2-enoyloxypropyl but-2-enoate.
What is the SMILES notation for 1-prop-2-enoyloxypropyl but-2-enoate?
The canonical SMILES for 1-prop-2-enoyloxypropyl but-2-enoate is C=CC(=O)OC(CC)OC(=O)C=CC.
What is the InChIKey of 1-prop-2-enoyloxypropyl but-2-enoate?
The InChIKey is BILXINLEBOMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7-9(12)14-10(6-3)13-8(11)5-2/h4-5,7,10H,2,6H2,1,3H3.
What are the key properties of 1-prop-2-enoyloxypropyl but-2-enoate?
1-prop-2-enoyloxypropyl but-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxypropyl but-2-enoate is sourced from PubChem (CID 141048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).