(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane

C16H30O6 — CID 10980078

IUPAC(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](OC2CCCCC2)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H30O6/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(22-12)21-11-8-6-5-7-9-11/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyKBMAHMXTIVYWOQ-RBGFHDKUSA-N
MW318.41 g/mol
LogP1.75
Rot. Bonds7

About (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane

(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 10980078) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID10980078
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](OC2CCCCC2)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H30O6/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(22-12)21-11-8-6-5-7-9-11/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyKBMAHMXTIVYWOQ-RBGFHDKUSA-N
XLogP1.75
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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,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)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
2-[[4-(cyclooctyloxymethyl)phenyl]methoxy]-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 163825437
(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
(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,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
[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methylsulfonyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl methanesulfonate
CID 101174302
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 10980078) is (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COC[C@H]1O[C@@H](OC2CCCCC2)[C@@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is KBMAHMXTIVYWOQ-RBGFHDKUSA-N. The full InChI is InChI=1S/C16H30O6/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(22-12)21-11-8-6-5-7-9-11/h11-16H,5-10H2,1-4H3/t12-,13-,14+,15+,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
(2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 318.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 10980078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).