(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane

C11H20O — CID 166930906

IUPAC(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane
SMILESC=C[C@H]1CCO[C@@H](CC(C)C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-6-12-11(8-10)7-9(2)3/h4,9-11H,1,5-8H2,2-3H3/t10-,11-/m0/s1
InChIKeyAWQTWDOYSGHJOB-QWRGUYRKSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds3

About (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane

(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane (PubChem CID 166930906) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane.

Molecular Properties

Compound Name(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane
PubChem CID166930906
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane
SMILESC=C[C@H]1CCO[C@@H](CC(C)C)C1
InChIInChI=1S/C11H20O/c1-4-10-5-6-12-11(8-10)7-9(2)3/h4,9-11H,1,5-8H2,2-3H3/t10-,11-/m0/s1
InChIKeyAWQTWDOYSGHJOB-QWRGUYRKSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.01
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,4S)-4-ethenyl-2-(2-methylpropyl)oxane?
The IUPAC name of (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane (CID 166930906) is (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane.
What is the SMILES notation for (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane?
The canonical SMILES for (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane is C=C[C@H]1CCO[C@@H](CC(C)C)C1.
What is the InChIKey of (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane?
The InChIKey is AWQTWDOYSGHJOB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10-5-6-12-11(8-10)7-9(2)3/h4,9-11H,1,5-8H2,2-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane?
(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane has a molecular weight of 168.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane is sourced from PubChem (CID 166930906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).