(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane

C11H22O2 — CID 159477864

IUPAC(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
SMILESCCC1O[C@H](C)[C@@H](C)C(C)[C@@H]1OC
InChIInChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m0/s1
InChIKeyLWPRLFXIDFVCRE-PPDVERPWSA-N
MW186.29 g/mol
LogP2.47
Rot. Bonds2

About (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane

(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane (PubChem CID 159477864) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane.

Molecular Properties

Compound Name(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
PubChem CID159477864
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane
SMILESCCC1O[C@H](C)[C@@H](C)C(C)[C@@H]1OC
InChIInChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m0/s1
InChIKeyLWPRLFXIDFVCRE-PPDVERPWSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-methoxy-4,5,6-trimethyloxane
CID 20632118
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
(3S,4R,6S)-2-ethyl-3-[(2R,4R,5S)-6-[[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methoxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 71047600
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
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
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The IUPAC name of (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane (CID 159477864) is (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane.
What is the SMILES notation for (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The canonical SMILES for (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane is CCC1O[C@H](C)[C@@H](C)C(C)[C@@H]1OC.
What is the InChIKey of (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane?
The InChIKey is LWPRLFXIDFVCRE-PPDVERPWSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10-11(12-5)8(3)7(2)9(4)13-10/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11-/m0/s1.
What are the key properties of (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane?
(3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-2-ethyl-3-methoxy-4,5,6-trimethyloxane is sourced from PubChem (CID 159477864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).