5-methyl-6-prop-2-enyloxan-2-one

C9H14O2 — CID 174376977

IUPAC5-methyl-6-prop-2-enyloxan-2-one
SMILESC=CCC1OC(=O)CCC1C
InChIInChI=1S/C9H14O2/c1-3-4-8-7(2)5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyQKKQPSYGTUEKKQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About 5-methyl-6-prop-2-enyloxan-2-one

5-methyl-6-prop-2-enyloxan-2-one (PubChem CID 174376977) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-6-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name5-methyl-6-prop-2-enyloxan-2-one
PubChem CID174376977
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-methyl-6-prop-2-enyloxan-2-one
SMILESC=CCC1OC(=O)CCC1C
InChIInChI=1S/C9H14O2/c1-3-4-8-7(2)5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyQKKQPSYGTUEKKQ-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
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 5-methyl-6-prop-2-enyloxan-2-one?
The IUPAC name of 5-methyl-6-prop-2-enyloxan-2-one (CID 174376977) is 5-methyl-6-prop-2-enyloxan-2-one.
What is the SMILES notation for 5-methyl-6-prop-2-enyloxan-2-one?
The canonical SMILES for 5-methyl-6-prop-2-enyloxan-2-one is C=CCC1OC(=O)CCC1C.
What is the InChIKey of 5-methyl-6-prop-2-enyloxan-2-one?
The InChIKey is QKKQPSYGTUEKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-8-7(2)5-6-9(10)11-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5-methyl-6-prop-2-enyloxan-2-one?
5-methyl-6-prop-2-enyloxan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-prop-2-enyloxan-2-one is sourced from PubChem (CID 174376977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).