(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane

C32H60O5 — CID 134169133

IUPAC(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
SMILESCC[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CC)[C@@H](C)[C@H](C)[C@H]3C)[C@H](C)[C@@H](CC)O[C@H]2C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C32H60O5/c1-14-24-19(6)17(4)21(8)30(34-24)36-27-23(10)26(16-3)33-29(32(11,12)13)28(27)37-31-22(9)18(5)20(7)25(15-2)35-31/h17-31H,14-16H2,1-13H3/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-/m0/s1
InChIKeyVKUGXJFORQUFTB-BTLYHRMOSA-N
MW524.83 g/mol
LogP7.70
Rot. Bonds7

About (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane

(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane (PubChem CID 134169133) has the molecular formula C32H60O5 and a molecular weight of 524.83 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
PubChem CID134169133
Molecular FormulaC32H60O5
Molecular Weight524.83 g/mol
Exact Mass524.44
IUPAC Name(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
SMILESCC[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CC)[C@@H](C)[C@H](C)[C@H]3C)[C@H](C)[C@@H](CC)O[C@H]2C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C32H60O5/c1-14-24-19(6)17(4)21(8)30(34-24)36-27-23(10)26(16-3)33-29(32(11,12)13)28(27)37-31-22(9)18(5)20(7)25(15-2)35-31/h17-31H,14-16H2,1-13H3/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-/m0/s1
InChIKeyVKUGXJFORQUFTB-BTLYHRMOSA-N
XLogP7.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
(2S,3S,5R)-6-ethyl-3-[(1R,4R)-5-ethyl-2,3,4-trimethylcyclohexyl]oxy-4-[(2S,3S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5-methyloxan-2-ol
CID 161084104
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
(2R,4S,5R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoxane-2,3,5-triol
CID 126492470
1-[(3S,4R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5,6-trimethyloxan-2-yl]ethanone
CID 70990683
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
1-[(3R,5S,6R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-2-yl]ethanone
CID 162174979
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(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-methoxy-3,5-dimethyloxane
CID 163701937
2-ethyl-6-[[6-[(2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl)oxy]-3,4,5-trimethyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
CID 20708699

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane (CID 134169133) is (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane is CC[C@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CC)[C@@H](C)[C@H](C)[C@H]3C)[C@H](C)[C@@H](CC)O[C@H]2C(C)(C)C)[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane?
The InChIKey is VKUGXJFORQUFTB-BTLYHRMOSA-N. The full InChI is InChI=1S/C32H60O5/c1-14-24-19(6)17(4)21(8)30(34-24)36-27-23(10)26(16-3)33-29(32(11,12)13)28(27)37-31-22(9)18(5)20(7)25(15-2)35-31/h17-31H,14-16H2,1-13H3/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-/m0/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane?
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane has a molecular weight of 524.83 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane is sourced from PubChem (CID 134169133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).