3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one

C10H16O4 — CID 129024772

IUPAC3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one
SMILESCC1COC(OCC2CCOC2=O)C1
InChIInChI=1S/C10H16O4/c1-7-4-9(13-5-7)14-6-8-2-3-12-10(8)11/h7-9H,2-6H2,1H3
InChIKeyLIFPCQGHNGFWJZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds3

About 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one

3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one (PubChem CID 129024772) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one
PubChem CID129024772
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one
SMILESCC1COC(OCC2CCOC2=O)C1
InChIInChI=1S/C10H16O4/c1-7-4-9(13-5-7)14-6-8-2-3-12-10(8)11/h7-9H,2-6H2,1H3
InChIKeyLIFPCQGHNGFWJZ-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one?
The IUPAC name of 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one (CID 129024772) is 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one.
What is the SMILES notation for 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one?
The canonical SMILES for 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one is CC1COC(OCC2CCOC2=O)C1.
What is the InChIKey of 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one?
The InChIKey is LIFPCQGHNGFWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-4-9(13-5-7)14-6-8-2-3-12-10(8)11/h7-9H,2-6H2,1H3.
What are the key properties of 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one?
3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyloxolan-2-yl)oxymethyl]oxolan-2-one is sourced from PubChem (CID 129024772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).