(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate

C9H14O3 — CID 174904859

IUPAC(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C)OCC1C
InChIInChI=1S/C9H14O3/c1-4-8(10)11-6-9(3)7(2)5-12-9/h4,7H,1,5-6H2,2-3H3
InChIKeyQEXWCSBFVXPFSY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds3

About (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate

(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate (PubChem CID 174904859) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
PubChem CID174904859
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C)OCC1C
InChIInChI=1S/C9H14O3/c1-4-8(10)11-6-9(3)7(2)5-12-9/h4,7H,1,5-6H2,2-3H3
InChIKeyQEXWCSBFVXPFSY-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
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
(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-tert-butyl-2,5-dihydroxycyclopentyl)methyl prop-2-enoate
CID 141037725
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
(2,2-difluorooxetan-3-yl)methyl prop-2-enoate
CID 122420839
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
[2-hydroxy-1,3,3-tris(prop-2-enoyloxymethyl)cyclohexyl]methyl prop-2-enoate
CID 68606821
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
3,3-difluoro-5-methyl-5-(prop-2-enoyloxymethyl)-2-(trifluoromethyl)oxolane-2-carboxylic acid
CID 89072491

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate?
The IUPAC name of (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate (CID 174904859) is (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate?
The canonical SMILES for (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate is C=CC(=O)OCC1(C)OCC1C.
What is the InChIKey of (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate?
The InChIKey is QEXWCSBFVXPFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-8(10)11-6-9(3)7(2)5-12-9/h4,7H,1,5-6H2,2-3H3.
What are the key properties of (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate?
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyloxetan-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 174904859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).