3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate

C12H16O4 — CID 141204803

IUPAC3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate
SMILESC=COC(=C)CC(=O)OC(C)C(=C)OC=C
InChIInChI=1S/C12H16O4/c1-6-14-9(3)8-12(13)16-11(5)10(4)15-7-2/h6-7,11H,1-4,8H2,5H3
InChIKeyIPLZUNCOXCUXDS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.66
Rot. Bonds8

About 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate

3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate (PubChem CID 141204803) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate.

Molecular Properties

Compound Name3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate
PubChem CID141204803
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate
SMILESC=COC(=C)CC(=O)OC(C)C(=C)OC=C
InChIInChI=1S/C12H16O4/c1-6-14-9(3)8-12(13)16-11(5)10(4)15-7-2/h6-7,11H,1-4,8H2,5H3
InChIKeyIPLZUNCOXCUXDS-UHFFFAOYSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
CID 10798090
[(3R,4R)-4-but-3-enoyloxyhexa-1,5-dien-3-yl] but-3-enoate
CID 135019996
Allyl 3-(acetoxy)but-3-enoate
CID 3020752
Methyl 2,3-dimethoxy-3-butenoate
CID 522784
2-Butanoyloxybut-3-enyl butanoate
CID 19376962
3-(3-Acetyloxybut-1-en-2-yloxy)but-3-en-2-yl acetate
CID 19602207
3,4-Dipropionyloxy-1-butene
CID 21225102
1-Acetyloxybut-3-en-2-yl propanoate
CID 22891790
2-But-3-enoyloxybut-3-enyl but-3-enoate
CID 23431934
Bis(2,3-dihydrofuran-3-yl) propanedioate
CID 53999418
2,3-Diacetyloxypent-4-enyl acetate
CID 54231922
Bis(penta-1,4-dien-3-yl) propanedioate
CID 56975699

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate?
The IUPAC name of 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate (CID 141204803) is 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate.
What is the SMILES notation for 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate?
The canonical SMILES for 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate is C=COC(=C)CC(=O)OC(C)C(=C)OC=C.
What is the InChIKey of 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate?
The InChIKey is IPLZUNCOXCUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-6-14-9(3)8-12(13)16-11(5)10(4)15-7-2/h6-7,11H,1-4,8H2,5H3.
What are the key properties of 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate?
3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate has a molecular weight of 224.26 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxybut-3-en-2-yl 3-ethenoxybut-3-enoate is sourced from PubChem (CID 141204803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).