(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate

C9H14O3 — CID 174899887

IUPAC(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1OC1C(C)C
InChIInChI=1S/C9H14O3/c1-4-8(10)11-5-7-9(12-7)6(2)3/h4,6-7,9H,1,5H2,2-3H3
InChIKeyFTRCOVDSVGTETJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds4

About (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate

(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate (PubChem CID 174899887) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
PubChem CID174899887
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1OC1C(C)C
InChIInChI=1S/C9H14O3/c1-4-8(10)11-5-7-9(12-7)6(2)3/h4,6-7,9H,1,5H2,2-3H3
InChIKeyFTRCOVDSVGTETJ-UHFFFAOYSA-N
XLogP1.14
TPSA38.83 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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methane;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl prop-2-enoate
CID 161366700
[3-(2,2,3,3,3-pentafluoropropyl)oxiran-2-yl]methyl prop-2-enoate
CID 150173929
(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl prop-2-enoate
CID 58942936
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
butyl 2-methyl-3-[3-(prop-2-enoyloxymethyl)oxiran-2-yl]prop-2-enoate
CID 173441183
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
(2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141004528
tri(butan-2-yl)silylmethyl prop-2-enoate
CID 141363387
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate?
The IUPAC name of (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate (CID 174899887) is (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate?
The canonical SMILES for (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate is C=CC(=O)OCC1OC1C(C)C.
What is the InChIKey of (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate?
The InChIKey is FTRCOVDSVGTETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-8(10)11-5-7-9(12-7)6(2)3/h4,6-7,9H,1,5H2,2-3H3.
What are the key properties of (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate?
(3-propan-2-yloxiran-2-yl)methyl prop-2-enoate has a molecular weight of 170.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxiran-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 174899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).