(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane

C15H30O4 — CID 71048290

IUPAC(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
SMILESCCCCOC[C@H]1O[C@H](OC)[C@H](C)[C@@H]1OCCCC
InChIInChI=1S/C15H30O4/c1-5-7-9-17-11-13-14(18-10-8-6-2)12(3)15(16-4)19-13/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyOEBYWWLMKKBZAT-KBXIAJHMSA-N
MW274.40 g/mol
LogP3.00
Rot. Bonds10

About (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane

(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane (PubChem CID 71048290) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
PubChem CID71048290
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
SMILESCCCCOC[C@H]1O[C@H](OC)[C@H](C)[C@@H]1OCCCC
InChIInChI=1S/C15H30O4/c1-5-7-9-17-11-13-14(18-10-8-6-2)12(3)15(16-4)19-13/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyOEBYWWLMKKBZAT-KBXIAJHMSA-N
XLogP3.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane?
The IUPAC name of (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane (CID 71048290) is (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane.
What is the SMILES notation for (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane?
The canonical SMILES for (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane is CCCCOC[C@H]1O[C@H](OC)[C@H](C)[C@@H]1OCCCC.
What is the InChIKey of (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane?
The InChIKey is OEBYWWLMKKBZAT-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-7-9-17-11-13-14(18-10-8-6-2)12(3)15(16-4)19-13/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane?
(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane has a molecular weight of 274.40 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane is sourced from PubChem (CID 71048290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).