(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane

C13H24O6 — CID 59039688

IUPAC(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(COC)[C@H](OC)C(OC)C1OC
InChIInChI=1S/C13H24O6/c1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13?/m0/s1
InChIKeyHPTRERBLWMMLHU-SLVBFOELSA-N
MW276.33 g/mol
LogP0.61
Rot. Bonds8

About (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane

(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane (PubChem CID 59039688) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
PubChem CID59039688
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(COC)[C@H](OC)C(OC)C1OC
InChIInChI=1S/C13H24O6/c1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13?/m0/s1
InChIKeyHPTRERBLWMMLHU-SLVBFOELSA-N
XLogP0.61
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
CID 11010775
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
CID 101182912
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
CID 129030971
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
[(2R,3R,4R,5R)-4,5-dimethoxy-2-(methoxymethyl)-6-trimethylsilyloxyoxan-3-yl]oxy-trimethylsilane
CID 22214938
(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 156615341
(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-olate
CID 101101099

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The IUPAC name of (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane (CID 59039688) is (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane.
What is the SMILES notation for (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The canonical SMILES for (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane is C=CCOC1OC(COC)[C@H](OC)C(OC)C1OC.
What is the InChIKey of (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
The InChIKey is HPTRERBLWMMLHU-SLVBFOELSA-N. The full InChI is InChI=1S/C13H24O6/c1-6-7-18-13-12(17-5)11(16-4)10(15-3)9(19-13)8-14-2/h6,9-13H,1,7-8H2,2-5H3/t9?,10-,11?,12?,13?/m0/s1.
What are the key properties of (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane?
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane has a molecular weight of 276.33 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane is sourced from PubChem (CID 59039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).