(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol

C13H24O8 — CID 11185911

IUPAC(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol
SMILESC=C[C@@H]1OC(O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C13H24O8/c1-5-9-10(18-6-15-2)11(19-7-16-3)12(13(14)21-9)20-8-17-4/h5,9-14H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13?/m0/s1
InChIKeyBBAWTAJUEDLFSR-KZKMVBDOSA-N
MW308.33 g/mol
LogP-0.14
Rot. Bonds10

About (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol

(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol (PubChem CID 11185911) has the molecular formula C13H24O8 and a molecular weight of 308.33 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol
PubChem CID11185911
Molecular FormulaC13H24O8
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Name(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol
SMILESC=C[C@@H]1OC(O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC
InChIInChI=1S/C13H24O8/c1-5-9-10(18-6-15-2)11(19-7-16-3)12(13(14)21-9)20-8-17-4/h5,9-14H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13?/m0/s1
InChIKeyBBAWTAJUEDLFSR-KZKMVBDOSA-N
XLogP-0.14
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
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,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol?
The IUPAC name of (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol (CID 11185911) is (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol.
What is the SMILES notation for (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol?
The canonical SMILES for (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol is C=C[C@@H]1OC(O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1OCOC.
What is the InChIKey of (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol?
The InChIKey is BBAWTAJUEDLFSR-KZKMVBDOSA-N. The full InChI is InChI=1S/C13H24O8/c1-5-9-10(18-6-15-2)11(19-7-16-3)12(13(14)21-9)20-8-17-4/h5,9-14H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13?/m0/s1.
What are the key properties of (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol?
(3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol has a molecular weight of 308.33 g/mol, XLogP of -0.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-ethenyl-3,4,5-tris(methoxymethoxy)oxan-2-ol is sourced from PubChem (CID 11185911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).