2-(4-methyloxetan-2-yl)ethyl prop-2-enoate

C9H14O3 — CID 121410457

IUPAC2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(C)O1
InChIInChI=1S/C9H14O3/c1-3-9(10)11-5-4-8-6-7(2)12-8/h3,7-8H,1,4-6H2,2H3
InChIKeyNFCZGNXSLGXFCE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate (PubChem CID 121410457) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
PubChem CID121410457
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC(C)O1
InChIInChI=1S/C9H14O3/c1-3-9(10)11-5-4-8-6-7(2)12-8/h3,7-8H,1,4-6H2,2H3
InChIKeyNFCZGNXSLGXFCE-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
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

2-[4-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]ethyl prop-2-enoate
CID 141157526
2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
CID 141157512
(4-ethyl-6-methyl-1,3-dioxan-2-yl) 3-prop-2-enoyloxypropanoate
CID 90719791
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
3-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 174813594
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
2-(3,3,4-trifluorooxetan-2-yl)ethyl prop-2-enoate
CID 141251980
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
2-hydroxybutyl prop-2-enoate;2-methyloxirane
CID 141341823

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate (CID 121410457) is 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1CC(C)O1.
What is the InChIKey of 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate?
The InChIKey is NFCZGNXSLGXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(10)11-5-4-8-6-7(2)12-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate?
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloxetan-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 121410457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).