1-(5-ethenyl-5-methyloxolan-2-yl)ethanone

C9H14O2 — CID 20526425

IUPAC1-(5-ethenyl-5-methyloxolan-2-yl)ethanone
SMILESC=CC1(C)CCC(C(C)=O)O1
InChIInChI=1S/C9H14O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,8H,1,5-6H2,2-3H3
InChIKeyFBFSXARBCWGXJL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone

1-(5-ethenyl-5-methyloxolan-2-yl)ethanone (PubChem CID 20526425) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethenyl-5-methyloxolan-2-yl)ethanone
PubChem CID20526425
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(5-ethenyl-5-methyloxolan-2-yl)ethanone
SMILESC=CC1(C)CCC(C(C)=O)O1
InChIInChI=1S/C9H14O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,8H,1,5-6H2,2-3H3
InChIKeyFBFSXARBCWGXJL-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone?
The IUPAC name of 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone (CID 20526425) is 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone is C=CC1(C)CCC(C(C)=O)O1.
What is the InChIKey of 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone?
The InChIKey is FBFSXARBCWGXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-9(3)6-5-8(11-9)7(2)10/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone?
1-(5-ethenyl-5-methyloxolan-2-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 20526425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).