4-methyl-3-pent-2-enyloxolan-2-one

C10H16O2 — CID 567126

IUPAC4-methyl-3-pent-2-enyloxolan-2-one
SMILESCCC=CCC1C(=O)OCC1C
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-12-10(9)11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMHAFEDCSWUVKOS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-3-pent-2-enyloxolan-2-one

4-methyl-3-pent-2-enyloxolan-2-one (PubChem CID 567126) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-methyl-3-pent-2-enyloxolan-2-one.

Molecular Properties

Compound Name4-methyl-3-pent-2-enyloxolan-2-one
PubChem CID567126
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-methyl-3-pent-2-enyloxolan-2-one
SMILESCCC=CCC1C(=O)OCC1C
InChIInChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-12-10(9)11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyMHAFEDCSWUVKOS-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pent-2-enyloxolan-2-one?
The IUPAC name of 4-methyl-3-pent-2-enyloxolan-2-one (CID 567126) is 4-methyl-3-pent-2-enyloxolan-2-one.
What is the SMILES notation for 4-methyl-3-pent-2-enyloxolan-2-one?
The canonical SMILES for 4-methyl-3-pent-2-enyloxolan-2-one is CCC=CCC1C(=O)OCC1C.
What is the InChIKey of 4-methyl-3-pent-2-enyloxolan-2-one?
The InChIKey is MHAFEDCSWUVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-12-10(9)11/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 4-methyl-3-pent-2-enyloxolan-2-one?
4-methyl-3-pent-2-enyloxolan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pent-2-enyloxolan-2-one is sourced from PubChem (CID 567126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).