(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane

C8H14O — CID 174025455

IUPAC(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane
SMILESC=C[C@@H]1C[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H14O/c1-4-8-5-6(2)7(3)9-8/h4,6-8H,1,5H2,2-3H3/t6-,7+,8+/m0/s1
InChIKeyMVKNHAAPBNJZHC-XLPZGREQSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane

(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane (PubChem CID 174025455) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane.

Molecular Properties

Compound Name(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane
PubChem CID174025455
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane
SMILESC=C[C@@H]1C[C@H](C)[C@@H](C)O1
InChIInChI=1S/C8H14O/c1-4-8-5-6(2)7(3)9-8/h4,6-8H,1,5H2,2-3H3/t6-,7+,8+/m0/s1
InChIKeyMVKNHAAPBNJZHC-XLPZGREQSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane?
The IUPAC name of (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane (CID 174025455) is (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane.
What is the SMILES notation for (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane?
The canonical SMILES for (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane is C=C[C@@H]1C[C@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane?
The InChIKey is MVKNHAAPBNJZHC-XLPZGREQSA-N. The full InChI is InChI=1S/C8H14O/c1-4-8-5-6(2)7(3)9-8/h4,6-8H,1,5H2,2-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane?
(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane is sourced from PubChem (CID 174025455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).