(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate

C10H16O4 — CID 141130139

IUPAC(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOC1(C)CCCCO1
InChIInChI=1S/C10H16O4/c1-8(2)9(11)13-14-10(3)6-4-5-7-12-10/h1,4-7H2,2-3H3
InChIKeyFHUAAAICZXVZQV-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.95
Rot. Bonds3

About (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate

(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate (PubChem CID 141130139) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate.

Molecular Properties

Compound Name(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
PubChem CID141130139
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOC1(C)CCCCO1
InChIInChI=1S/C10H16O4/c1-8(2)9(11)13-14-10(3)6-4-5-7-12-10/h1,4-7H2,2-3H3
InChIKeyFHUAAAICZXVZQV-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
CID 139751509
ethene;2-ethoxy-2-methyloxane
CID 162017972
2-methyl-1-(2-silyloxan-2-yl)prop-2-en-1-one
CID 174738862
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
methyl (2-methyloxolan-2-yl) carbonate
CID 139836783
[1-[(2-methyl-1,4-oxathiepan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 59638153
2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
CID 139750651
cyclobutane;2-methylprop-2-eneperoxoic acid
CID 174582061
2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
CID 58186034
2-methylprop-2-eneperoxoic acid;oxepan-2-one
CID 87105082
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate?
The IUPAC name of (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate (CID 141130139) is (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate.
What is the SMILES notation for (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate?
The canonical SMILES for (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate is C=C(C)C(=O)OOC1(C)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate?
The InChIKey is FHUAAAICZXVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(2)9(11)13-14-10(3)6-4-5-7-12-10/h1,4-7H2,2-3H3.
What are the key properties of (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate?
(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate has a molecular weight of 200.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate is sourced from PubChem (CID 141130139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).