1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone

C9H14O2 — CID 70555930

IUPAC1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
SMILESC=C[C@@]1(C)CC[C@@H](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/t8-,9-/m0/s1
InChIKeyFBFSXARBCWGXJL-IUCAKERBSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone

1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone (PubChem CID 70555930) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
PubChem CID70555930
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
SMILESC=C[C@@]1(C)CC[C@@H](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/t8-,9-/m0/s1
InChIKeyFBFSXARBCWGXJL-IUCAKERBSA-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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Related Compounds

3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-one
CID 529919
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
1,3-bis[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-one
CID 54545713
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
(2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-4,4-dimethylhex-5-en-3-one
CID 102441802
2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293
(4Z)-2-(5-ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhepta-4,6-dien-3-one
CID 91727820
2-ethenyl-5-ethyl-2-methyloxolane
CID 6431150
[(3R,6S)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
CID 21116837
1-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
CID 20975834
(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
CID 90477447
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone (CID 70555930) is 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone is C=C[C@@]1(C)CC[C@@H](C(C)=O)O1.
What is the InChIKey of 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone?
The InChIKey is FBFSXARBCWGXJL-IUCAKERBSA-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/t8-,9-/m0/s1.
What are the key properties of 1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone?
1-[(2S,5R)-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-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone is sourced from PubChem (CID 70555930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).