(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane

C14H26O8 — CID 134969837

IUPAC(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane
SMILESC=CC1O[C@H](OC)C(OCOC)C(OCOC)[C@@H]1OCOC
InChIInChI=1S/C14H26O8/c1-6-10-11(19-7-15-2)12(20-8-16-3)13(21-9-17-4)14(18-5)22-10/h6,10-14H,1,7-9H2,2-5H3/t10?,11-,12?,13?,14+/m1/s1
InChIKeyTZDUMHGIRWJYSZ-IAPOMNSZSA-N
MW322.35 g/mol
LogP0.51
Rot. Bonds11

About (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane

(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane (PubChem CID 134969837) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane.

Molecular Properties

Compound Name(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane
PubChem CID134969837
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane
SMILESC=CC1O[C@H](OC)C(OCOC)C(OCOC)[C@@H]1OCOC
InChIInChI=1S/C14H26O8/c1-6-10-11(19-7-15-2)12(20-8-16-3)13(21-9-17-4)14(18-5)22-10/h6,10-14H,1,7-9H2,2-5H3/t10?,11-,12?,13?,14+/m1/s1
InChIKeyTZDUMHGIRWJYSZ-IAPOMNSZSA-N
XLogP0.51
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane?
The IUPAC name of (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane (CID 134969837) is (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane.
What is the SMILES notation for (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane?
The canonical SMILES for (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane is C=CC1O[C@H](OC)C(OCOC)C(OCOC)[C@@H]1OCOC.
What is the InChIKey of (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane?
The InChIKey is TZDUMHGIRWJYSZ-IAPOMNSZSA-N. The full InChI is InChI=1S/C14H26O8/c1-6-10-11(19-7-15-2)12(20-8-16-3)13(21-9-17-4)14(18-5)22-10/h6,10-14H,1,7-9H2,2-5H3/t10?,11-,12?,13?,14+/m1/s1.
What are the key properties of (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane?
(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane has a molecular weight of 322.35 g/mol, XLogP of 0.51, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane is sourced from PubChem (CID 134969837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).