(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane

C15H28O9 — CID 15489480

IUPAC(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
SMILESC=C1O[C@H](COCOC)[C@@H](OCOC)[C@H](OCOC)[C@H]1OCOC
InChIInChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3/t12-,13+,14-,15-/m1/s1
InChIKeyCPQQFRPRMKVTHZ-LXTVHRRPSA-N
MW352.38 g/mol
LogP0.49
Rot. Bonds13

About (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane

(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane (PubChem CID 15489480) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
PubChem CID15489480
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Name(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
SMILESC=C1O[C@H](COCOC)[C@@H](OCOC)[C@H](OCOC)[C@H]1OCOC
InChIInChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3/t12-,13+,14-,15-/m1/s1
InChIKeyCPQQFRPRMKVTHZ-LXTVHRRPSA-N
XLogP0.49
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8,9,10-Trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane
CID 134860901
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867
6,7-dideoxy-1,2,3,4-tetraacetate-L-galacto-hept-6-enopyranose
CID 58013660
(3R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
CID 68238096
(3S,4R,5S,6S)-3,4,5-tributoxy-2-(difluoromethylidene)-6-(methoxymethoxymethyl)oxane
CID 89353244
2,6-anhydro-3,4,5,7-tetra-O-(methoxymethyl)-d-gluco-hept-1-enitol
CID 129662615
(3R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(methoxymethoxy)oxane
CID 134969837
[(3R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 135032976
Methyl 2,3,4-tri-O-acetyl-6-deoxy-alpha-D-xylo-hex-5-enopyranoside
CID 11055755
2,3,4,5-Tetramethoxy-6-methylideneoxane
CID 14374461
3,4,5-Trimethoxy-2-(methoxymethyl)-6-methylideneoxane
CID 14679612
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-propa-1,2-dienyloxan-3-yl] acetate
CID 44544737

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane (CID 15489480) is (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane is C=C1O[C@H](COCOC)[C@@H](OCOC)[C@H](OCOC)[C@H]1OCOC.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The InChIKey is CPQQFRPRMKVTHZ-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
(2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane has a molecular weight of 352.38 g/mol, XLogP of 0.49, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane is sourced from PubChem (CID 15489480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).