butyl 3-prop-2-enoyloxybutanoate

C11H18O4 — CID 90254320

IUPACbutyl 3-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OC(C)CC(=O)OCCCC
InChIInChI=1S/C11H18O4/c1-4-6-7-14-11(13)8-9(3)15-10(12)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyQSUJUQMZAIITFT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds7

About butyl 3-prop-2-enoyloxybutanoate

butyl 3-prop-2-enoyloxybutanoate (PubChem CID 90254320) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is butyl 3-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Namebutyl 3-prop-2-enoyloxybutanoate
PubChem CID90254320
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namebutyl 3-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OC(C)CC(=O)OCCCC
InChIInChI=1S/C11H18O4/c1-4-6-7-14-11(13)8-9(3)15-10(12)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyQSUJUQMZAIITFT-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
CID 141221847
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
decyl 3-acetyloxybutanoate
CID 162352833
dibutyl 2-prop-2-enylbutanedioate
CID 13194779
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
butoxysilane;1-hydroxyethyl prop-2-enoate
CID 175476207
12-oxo-12-(4-prop-2-enoyloxypentoxy)dodecanoic acid
CID 141499372

Frequently Asked Questions

What is the IUPAC name of butyl 3-prop-2-enoyloxybutanoate?
The IUPAC name of butyl 3-prop-2-enoyloxybutanoate (CID 90254320) is butyl 3-prop-2-enoyloxybutanoate.
What is the SMILES notation for butyl 3-prop-2-enoyloxybutanoate?
The canonical SMILES for butyl 3-prop-2-enoyloxybutanoate is C=CC(=O)OC(C)CC(=O)OCCCC.
What is the InChIKey of butyl 3-prop-2-enoyloxybutanoate?
The InChIKey is QSUJUQMZAIITFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-6-7-14-11(13)8-9(3)15-10(12)5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of butyl 3-prop-2-enoyloxybutanoate?
butyl 3-prop-2-enoyloxybutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-prop-2-enoyloxybutanoate is sourced from PubChem (CID 90254320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).