(3-butyloxetan-3-yl)methyl prop-2-enoate

C11H18O3 — CID 23067252

IUPAC(3-butyloxetan-3-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCC)COC1
InChIInChI=1S/C11H18O3/c1-3-5-6-11(7-13-8-11)9-14-10(12)4-2/h4H,2-3,5-9H2,1H3
InChIKeyFSCJUPSBWSXKJV-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds6

About (3-butyloxetan-3-yl)methyl prop-2-enoate

(3-butyloxetan-3-yl)methyl prop-2-enoate (PubChem CID 23067252) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3-butyloxetan-3-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(3-butyloxetan-3-yl)methyl prop-2-enoate
PubChem CID23067252
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3-butyloxetan-3-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(CCCC)COC1
InChIInChI=1S/C11H18O3/c1-3-5-6-11(7-13-8-11)9-14-10(12)4-2/h4H,2-3,5-9H2,1H3
InChIKeyFSCJUPSBWSXKJV-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 172769604
(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
2-[2-[(3-ethyloxetan-3-yl)methoxy]-2-oxoethoxy]ethyl prop-2-enoate
CID 139951419
[1-(5-methylhexyl)cyclopropyl]methyl prop-2-enoate
CID 141276054
(E)-4-[(3-ethyloxetan-3-yl)methoxy]-4-oxobut-2-enoic acid
CID 20682759
(2-phosphonooxyoxiran-2-yl)methyl prop-2-enoate
CID 156783562
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl prop-2-enoate
CID 71325039
[1-(6-methylheptyl)cyclohexyl]methyl prop-2-enoate
CID 141276062
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of (3-butyloxetan-3-yl)methyl prop-2-enoate?
The IUPAC name of (3-butyloxetan-3-yl)methyl prop-2-enoate (CID 23067252) is (3-butyloxetan-3-yl)methyl prop-2-enoate.
What is the SMILES notation for (3-butyloxetan-3-yl)methyl prop-2-enoate?
The canonical SMILES for (3-butyloxetan-3-yl)methyl prop-2-enoate is C=CC(=O)OCC1(CCCC)COC1.
What is the InChIKey of (3-butyloxetan-3-yl)methyl prop-2-enoate?
The InChIKey is FSCJUPSBWSXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-6-11(7-13-8-11)9-14-10(12)4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of (3-butyloxetan-3-yl)methyl prop-2-enoate?
(3-butyloxetan-3-yl)methyl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyloxetan-3-yl)methyl prop-2-enoate is sourced from PubChem (CID 23067252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).