4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one

C9H14O4 — CID 118584181

IUPAC4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1COCC(C)C
InChIInChI=1S/C9H14O4/c1-6(2)4-11-5-8-7(3)12-9(10)13-8/h6H,4-5H2,1-3H3
InChIKeyTZTJMHAFCFFOQV-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.71
Rot. Bonds4

About 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one

4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one (PubChem CID 118584181) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one
PubChem CID118584181
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1COCC(C)C
InChIInChI=1S/C9H14O4/c1-6(2)4-11-5-8-7(3)12-9(10)13-8/h6H,4-5H2,1-3H3
InChIKeyTZTJMHAFCFFOQV-UHFFFAOYSA-N
XLogP1.71
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one (CID 118584181) is 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one is Cc1oc(=O)oc1COCC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one?
The InChIKey is TZTJMHAFCFFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6(2)4-11-5-8-7(3)12-9(10)13-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one?
4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 118584181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).