(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane

C11H18O2 — CID 102446457

IUPAC(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
SMILESC=CO[C@@H]1CCCO[C@H]1CC(=C)C
InChIInChI=1S/C11H18O2/c1-4-12-10-6-5-7-13-11(10)8-9(2)3/h4,10-11H,1-2,5-8H2,3H3/t10-,11+/m1/s1
InChIKeyHKOYSAKDDJCFAR-MNOVXSKESA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane

(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane (PubChem CID 102446457) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane.

Molecular Properties

Compound Name(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
PubChem CID102446457
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
SMILESC=CO[C@@H]1CCCO[C@H]1CC(=C)C
InChIInChI=1S/C11H18O2/c1-4-12-10-6-5-7-13-11(10)8-9(2)3/h4,10-11H,1-2,5-8H2,3H3/t10-,11+/m1/s1
InChIKeyHKOYSAKDDJCFAR-MNOVXSKESA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane?
The IUPAC name of (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane (CID 102446457) is (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane.
What is the SMILES notation for (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane?
The canonical SMILES for (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane is C=CO[C@@H]1CCCO[C@H]1CC(=C)C.
What is the InChIKey of (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane?
The InChIKey is HKOYSAKDDJCFAR-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O2/c1-4-12-10-6-5-7-13-11(10)8-9(2)3/h4,10-11H,1-2,5-8H2,3H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane?
(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane is sourced from PubChem (CID 102446457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).