(2S,3S)-3-ethenyl-2-ethyloxolane

C8H14O — CID 175638918

IUPAC(2S,3S)-3-ethenyl-2-ethyloxolane
SMILESC=C[C@@H]1CCO[C@H]1CC
InChIInChI=1S/C8H14O/c1-3-7-5-6-9-8(7)4-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyKDKUCOBCCGROBW-SFYZADRCSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About (2S,3S)-3-ethenyl-2-ethyloxolane

(2S,3S)-3-ethenyl-2-ethyloxolane (PubChem CID 175638918) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,3S)-3-ethenyl-2-ethyloxolane.

Molecular Properties

Compound Name(2S,3S)-3-ethenyl-2-ethyloxolane
PubChem CID175638918
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,3S)-3-ethenyl-2-ethyloxolane
SMILESC=C[C@@H]1CCO[C@H]1CC
InChIInChI=1S/C8H14O/c1-3-7-5-6-9-8(7)4-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyKDKUCOBCCGROBW-SFYZADRCSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (2S,3S)-3-ethenyl-2-ethyloxolane?
The IUPAC name of (2S,3S)-3-ethenyl-2-ethyloxolane (CID 175638918) is (2S,3S)-3-ethenyl-2-ethyloxolane.
What is the SMILES notation for (2S,3S)-3-ethenyl-2-ethyloxolane?
The canonical SMILES for (2S,3S)-3-ethenyl-2-ethyloxolane is C=C[C@@H]1CCO[C@H]1CC.
What is the InChIKey of (2S,3S)-3-ethenyl-2-ethyloxolane?
The InChIKey is KDKUCOBCCGROBW-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7-5-6-9-8(7)4-2/h3,7-8H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (2S,3S)-3-ethenyl-2-ethyloxolane?
(2S,3S)-3-ethenyl-2-ethyloxolane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethenyl-2-ethyloxolane is sourced from PubChem (CID 175638918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).