(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol

C10H20O3 — CID 70252903

IUPAC(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol
SMILESCCC1[C@H](C)O[C@@H](O)C[C@@]1(C)OC
InChIInChI=1S/C10H20O3/c1-5-8-7(2)13-9(11)6-10(8,3)12-4/h7-9,11H,5-6H2,1-4H3/t7-,8?,9+,10+/m0/s1
InChIKeyWTDAIPZDFLWJSQ-NKSXPTFNSA-N
MW188.27 g/mol
LogP1.54
Rot. Bonds2

About (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol

(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol (PubChem CID 70252903) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol.

Molecular Properties

Compound Name(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol
PubChem CID70252903
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol
SMILESCCC1[C@H](C)O[C@@H](O)C[C@@]1(C)OC
InChIInChI=1S/C10H20O3/c1-5-8-7(2)13-9(11)6-10(8,3)12-4/h7-9,11H,5-6H2,1-4H3/t7-,8?,9+,10+/m0/s1
InChIKeyWTDAIPZDFLWJSQ-NKSXPTFNSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

4-ethyl-4,6-dimethyloxane-2,5-diol
CID 90762983
(2S,3S,4R,6S)-4-methoxy-2,3,4,6-tetramethyloxane
CID 89274647
(2S,3R,4R,6S)-4-methoxy-2,4,6-trimethyloxan-3-amine
CID 134401507
(4R)-4-methoxy-2,4-dimethyloxan-3-ol
CID 89038479
1-[(2S,3R,4S,5R,6S)-4-ethyl-5,6-dimethoxy-3,5-dimethyloxan-2-yl]ethanone
CID 118585688
(3R,4S,5R,7R,9R,11R,12R,13S,14R)-14-ethyl-6,7,12,13-tetrahydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 170456281
(2S,4S,5R,6S)-5-methoxy-6-methyloxane-2,4-diol
CID 21158721
1,2-bis[(2S,3R,4S,5R,6S)-4-ethyl-5,6-dimethoxy-3,5-dimethyloxan-2-yl]ethanone
CID 118585608
2,4,5-trimethoxy-2,4,6-trimethyloxane
CID 152784004
(3aS,4S,7aS)-6-hydroxy-4,7a-dimethyl-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-2-one
CID 130892046
(3R,4S,5S,6R,7R,9R,11R,12S,13S,14R)-4-[(2R,3S,4S,6S)-3,6-dihydroxy-4-methoxy-4-methyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 124837880
N'-(2-methoxy-2-methylcyclopropyl)propanimidamide
CID 164659009

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol?
The IUPAC name of (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol (CID 70252903) is (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol.
What is the SMILES notation for (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol?
The canonical SMILES for (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol is CCC1[C@H](C)O[C@@H](O)C[C@@]1(C)OC.
What is the InChIKey of (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol?
The InChIKey is WTDAIPZDFLWJSQ-NKSXPTFNSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-8-7(2)13-9(11)6-10(8,3)12-4/h7-9,11H,5-6H2,1-4H3/t7-,8?,9+,10+/m0/s1.
What are the key properties of (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol?
(2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-5-ethyl-4-methoxy-4,6-dimethyloxan-2-ol is sourced from PubChem (CID 70252903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).