tert-butyl 4-prop-2-enoyloxybutanoate

C11H18O4 — CID 150138200

IUPACtert-butyl 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O4/c1-5-9(12)14-8-6-7-10(13)15-11(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyFCRZJQAXBQDRSE-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds5

About tert-butyl 4-prop-2-enoyloxybutanoate

tert-butyl 4-prop-2-enoyloxybutanoate (PubChem CID 150138200) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 4-prop-2-enoyloxybutanoate.

Molecular Properties

Compound Nametert-butyl 4-prop-2-enoyloxybutanoate
PubChem CID150138200
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nametert-butyl 4-prop-2-enoyloxybutanoate
SMILESC=CC(=O)OCCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H18O4/c1-5-9(12)14-8-6-7-10(13)15-11(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyFCRZJQAXBQDRSE-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

4-O-tert-butyl 1-O-(4-prop-2-enoyloxybutyl) butanedioate
CID 121288895
tert-butyl prop-2-enoate;octadecyl prop-2-enoate
CID 175813699
ditert-butyl pentanedioate
CID 3016405
(2-methyl-4-prop-2-enoyloxybutan-2-yl) 7-hydroxy-7-methyloctanoate
CID 129212226
tert-butyl 4-[2-[2-[2-(3-oxo-3-prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 158205428
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 4-oxo-4-(sulfanylamino)butanoate
CID 59730700
(4,4-ditert-butyl-5,5-dimethylhexyl) prop-2-enoate
CID 18739244
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
CID 161381501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-prop-2-enoyloxybutanoate?
The IUPAC name of tert-butyl 4-prop-2-enoyloxybutanoate (CID 150138200) is tert-butyl 4-prop-2-enoyloxybutanoate.
What is the SMILES notation for tert-butyl 4-prop-2-enoyloxybutanoate?
The canonical SMILES for tert-butyl 4-prop-2-enoyloxybutanoate is C=CC(=O)OCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-prop-2-enoyloxybutanoate?
The InChIKey is FCRZJQAXBQDRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-9(12)14-8-6-7-10(13)15-11(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 4-prop-2-enoyloxybutanoate?
tert-butyl 4-prop-2-enoyloxybutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-prop-2-enoyloxybutanoate is sourced from PubChem (CID 150138200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).