oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate

C16H24O5 — CID 87085924

IUPACoxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=CC(=O)OC1(CCC)CC1
InChIInChI=1S/C9H14O2.C7H10O3/c1-3-5-9(6-7-9)11-8(10)4-2;1-5(2)7(8)10-4-6-3-9-6/h4H,2-3,5-7H2,1H3;6H,1,3-4H2,2H3
InChIKeySFWOCHIWIQFNLP-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.55
Rot. Bonds7

About oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate

oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate (PubChem CID 87085924) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
PubChem CID87085924
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=CC(=O)OC1(CCC)CC1
InChIInChI=1S/C9H14O2.C7H10O3/c1-3-5-9(6-7-9)11-8(10)4-2;1-5(2)7(8)10-4-6-3-9-6/h4H,2-3,5-7H2,1H3;6H,1,3-4H2,2H3
InChIKeySFWOCHIWIQFNLP-UHFFFAOYSA-N
XLogP2.55
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
butyl 2-methylprop-2-enoate;ethene;oxiran-2-ylmethyl prop-2-enoate
CID 135308468
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
(1-heptan-3-ylcyclopropyl) 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 87131206
ethyl 2-methylprop-2-enoate;[1-(oxiran-2-yl)cyclopropyl] prop-2-enoate
CID 88834562
(1-propylcyclononyl) prop-2-enoate
CID 141276110
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate (CID 87085924) is oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate is C=C(C)C(=O)OCC1CO1.C=CC(=O)OC1(CCC)CC1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate?
The InChIKey is SFWOCHIWIQFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C7H10O3/c1-3-5-9(6-7-9)11-8(10)4-2;1-5(2)7(8)10-4-6-3-9-6/h4H,2-3,5-7H2,1H3;6H,1,3-4H2,2H3.
What are the key properties of oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate?
oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate has a molecular weight of 296.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate is sourced from PubChem (CID 87085924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).