(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane

C11H20O3 — CID 118017188

IUPAC(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane
SMILESC=C[C@@H]1C[C@@H](OCCCC)C(OC)O1
InChIInChI=1S/C11H20O3/c1-4-6-7-13-10-8-9(5-2)14-11(10)12-3/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-,11?/m1/s1
InChIKeyCYBMKWDOCDMTKV-DIOIDXFWSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds6

About (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane

(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane (PubChem CID 118017188) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane.

Molecular Properties

Compound Name(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane
PubChem CID118017188
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane
SMILESC=C[C@@H]1C[C@@H](OCCCC)C(OC)O1
InChIInChI=1S/C11H20O3/c1-4-6-7-13-10-8-9(5-2)14-11(10)12-3/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-,11?/m1/s1
InChIKeyCYBMKWDOCDMTKV-DIOIDXFWSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane?
The IUPAC name of (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane (CID 118017188) is (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane.
What is the SMILES notation for (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane?
The canonical SMILES for (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane is C=C[C@@H]1C[C@@H](OCCCC)C(OC)O1.
What is the InChIKey of (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane?
The InChIKey is CYBMKWDOCDMTKV-DIOIDXFWSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-6-7-13-10-8-9(5-2)14-11(10)12-3/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-,11?/m1/s1.
What are the key properties of (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane?
(3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-butoxy-5-ethenyl-2-methoxyoxolane is sourced from PubChem (CID 118017188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).