3-ethenoxybutan-2-yl prop-2-enoate

C9H14O3 — CID 141368584

IUPAC3-ethenoxybutan-2-yl prop-2-enoate
SMILESC=COC(C)C(C)OC(=O)C=C
InChIInChI=1S/C9H14O3/c1-5-9(10)12-8(4)7(3)11-6-2/h5-8H,1-2H2,3-4H3
InChIKeyWITRHALQHDGRBJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.65
Rot. Bonds5

About 3-ethenoxybutan-2-yl prop-2-enoate

3-ethenoxybutan-2-yl prop-2-enoate (PubChem CID 141368584) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-ethenoxybutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name3-ethenoxybutan-2-yl prop-2-enoate
PubChem CID141368584
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3-ethenoxybutan-2-yl prop-2-enoate
SMILESC=COC(C)C(C)OC(=O)C=C
InChIInChI=1S/C9H14O3/c1-5-9(10)12-8(4)7(3)11-6-2/h5-8H,1-2H2,3-4H3
InChIKeyWITRHALQHDGRBJ-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
2-(3-prop-2-enoyloxybutan-2-yloxy)butanedioic acid
CID 174880075
methanol;2-(1-prop-2-enoyloxyethyl)butanedioic acid
CID 174742630
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
3-[dimethyl(trimethylsilyloxy)silyl]butan-2-yl prop-2-enoate
CID 18949611
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174534571
propan-2-yl prop-2-enoate;2-sulfoacetic acid
CID 175284607
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxybutan-2-yl prop-2-enoate?
The IUPAC name of 3-ethenoxybutan-2-yl prop-2-enoate (CID 141368584) is 3-ethenoxybutan-2-yl prop-2-enoate.
What is the SMILES notation for 3-ethenoxybutan-2-yl prop-2-enoate?
The canonical SMILES for 3-ethenoxybutan-2-yl prop-2-enoate is C=COC(C)C(C)OC(=O)C=C.
What is the InChIKey of 3-ethenoxybutan-2-yl prop-2-enoate?
The InChIKey is WITRHALQHDGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-9(10)12-8(4)7(3)11-6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of 3-ethenoxybutan-2-yl prop-2-enoate?
3-ethenoxybutan-2-yl prop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxybutan-2-yl prop-2-enoate is sourced from PubChem (CID 141368584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).