4,4-dimethyl-3-propoxyoxolan-2-one

C9H16O3 — CID 67893884

IUPAC4,4-dimethyl-3-propoxyoxolan-2-one
SMILESCCCOC1C(=O)OCC1(C)C
InChIInChI=1S/C9H16O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyONPMZVSASFKUCE-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds3

About 4,4-dimethyl-3-propoxyoxolan-2-one

4,4-dimethyl-3-propoxyoxolan-2-one (PubChem CID 67893884) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4,4-dimethyl-3-propoxyoxolan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-propoxyoxolan-2-one
PubChem CID67893884
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4,4-dimethyl-3-propoxyoxolan-2-one
SMILESCCCOC1C(=O)OCC1(C)C
InChIInChI=1S/C9H16O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyONPMZVSASFKUCE-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-propoxyoxolan-2-one?
The IUPAC name of 4,4-dimethyl-3-propoxyoxolan-2-one (CID 67893884) is 4,4-dimethyl-3-propoxyoxolan-2-one.
What is the SMILES notation for 4,4-dimethyl-3-propoxyoxolan-2-one?
The canonical SMILES for 4,4-dimethyl-3-propoxyoxolan-2-one is CCCOC1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-propoxyoxolan-2-one?
The InChIKey is ONPMZVSASFKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h7H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-propoxyoxolan-2-one?
4,4-dimethyl-3-propoxyoxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-propoxyoxolan-2-one is sourced from PubChem (CID 67893884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).