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

C17H32O6 — CID 163409529

IUPAC(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](OCC2CCCCC2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C17H32O6/c1-18-11-13-14(19-2)15(20-3)16(21-4)17(23-13)22-10-12-8-6-5-7-9-12/h12-17H,5-11H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyDKQXCRUTHJOIGA-NQNKBUKLSA-N
MW332.44 g/mol
LogP2.00
Rot. Bonds8

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

(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 163409529) has the molecular formula C17H32O6 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID163409529
Molecular FormulaC17H32O6
Molecular Weight332.44 g/mol
Exact Mass332.22
IUPAC Name(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](OCC2CCCCC2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C17H32O6/c1-18-11-13-14(19-2)15(20-3)16(21-4)17(23-13)22-10-12-8-6-5-7-9-12/h12-17H,5-11H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyDKQXCRUTHJOIGA-NQNKBUKLSA-N
XLogP2.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane with MolForge

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Related Compounds

2-Ethylhexyl 6-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
CID 56842686
Cyclohexylmethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
CID 10071819
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
CID 46885408
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
CID 46885409
(2S,3S,4S,5S,6R)-2-(cyclohexylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53326707
6-cyclohexylhexyl beta-D-glucopyranoside
CID 53245652
4-Cyclohexylbutyl-beta-d-glucopyranoside
CID 71305056
[(3R,4S,5R,6R)-2,3-diacetyloxy-6-ethyl-5-methyloxan-4-yl] acetate
CID 117714136
1,3,5,7,7-Hexaethoxy-2,4,6-trimethylheptane
CID 129810513
2-(4-Fluorocyclohexyl)-5-heptoxy-1,3-dioxane
CID 70492711
(3S,4S,6R)-2-ethyl-5-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288483
(2S,3S,6R)-2-ethyl-5-[(2R,5S,6S)-6-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-fluoro-3,4-dimethyloxane
CID 121288486

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 163409529) is (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane is COC[C@H]1O[C@@H](OCC2CCCCC2)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is DKQXCRUTHJOIGA-NQNKBUKLSA-N. The full InChI is InChI=1S/C17H32O6/c1-18-11-13-14(19-2)15(20-3)16(21-4)17(23-13)22-10-12-8-6-5-7-9-12/h12-17H,5-11H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 332.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(cyclohexylmethoxy)-3,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 163409529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).