(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate

C10H16O4 — CID 71022077

IUPAC(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C)CCOC(=O)C1
InChIInChI=1S/C10H16O4/c1-7(2)9(12)14-10(3)4-5-13-8(11)6-10/h7H,4-6H2,1-3H3
InChIKeyKUTVTNNLMMWXFQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds2

About (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate

(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate (PubChem CID 71022077) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate
PubChem CID71022077
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1(C)CCOC(=O)C1
InChIInChI=1S/C10H16O4/c1-7(2)9(12)14-10(3)4-5-13-8(11)6-10/h7H,4-6H2,1-3H3
InChIKeyKUTVTNNLMMWXFQ-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-oxooxan-4-yl) 3-methyl-2-propan-2-ylbut-2-enoate
CID 70860468
(4-methyl-2-oxooxan-4-yl) 2-iodo-2-(1λ3-ioda-2,4-diazabicyclo[1.1.0]butan-3-yl)acetate
CID 152945948
5-O-tert-butyl 1-O-(4-methyl-2-oxooxan-4-yl) 2-ethyl-2,4-dimethylpentanedioate
CID 20675711
(4-methyl-2-oxooxan-4-yl) formate
CID 54294385
5-O-methoxysulfinyl 1-O-(4-methyl-2-oxooxan-4-yl) 2-ethyl-2,4-dimethylpentanedioate
CID 20675708
(2,2,5-trimethyl-1,3-dioxan-5-yl) 2-methylpropanoate
CID 175254873
(4-ethyl-2-oxooxan-4-yl) acetate
CID 89198151
(2,2-dihydroxy-4-methyloxathiolan-4-yl) 2-methylpropanoate
CID 90002569
[3-(3-methyl-2-oxooxolan-3-yl)-2-oxocyclohexyl] 2-methylpropanoate
CID 144910531
(4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate
CID 164986824
1-O-(2-methyl-2-adamantyl) 5-O-(4-methyl-2-oxooxan-4-yl) 4-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethyl-2,4-dimethylpentanedioate
CID 21136848
(4-methyl-2-oxooxan-4-yl) 6-[4-(1-ethoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)-2-methylheptanoate
CID 20675707

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate?
The IUPAC name of (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate (CID 71022077) is (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate.
What is the SMILES notation for (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate?
The canonical SMILES for (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate is CC(C)C(=O)OC1(C)CCOC(=O)C1.
What is the InChIKey of (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate?
The InChIKey is KUTVTNNLMMWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7(2)9(12)14-10(3)4-5-13-8(11)6-10/h7H,4-6H2,1-3H3.
What are the key properties of (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate?
(4-methyl-2-oxooxan-4-yl) 2-methylpropanoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxooxan-4-yl) 2-methylpropanoate is sourced from PubChem (CID 71022077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).