(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane

C11H22O2 — CID 91010056

IUPAC(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
SMILESCCC1C(CC)[C@H](C)CO[C@H]1OC
InChIInChI=1S/C11H22O2/c1-5-9-8(3)7-13-11(12-4)10(9)6-2/h8-11H,5-7H2,1-4H3/t8-,9?,10?,11-/m1/s1
InChIKeyXOKFGPUWSDEVHP-AGVGLQIMSA-N
MW186.29 g/mol
LogP2.68
Rot. Bonds3

About (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane

(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane (PubChem CID 91010056) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane.

Molecular Properties

Compound Name(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
PubChem CID91010056
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
SMILESCCC1C(CC)[C@H](C)CO[C@H]1OC
InChIInChI=1S/C11H22O2/c1-5-9-8(3)7-13-11(12-4)10(9)6-2/h8-11H,5-7H2,1-4H3/t8-,9?,10?,11-/m1/s1
InChIKeyXOKFGPUWSDEVHP-AGVGLQIMSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3,5-dimethyloxane
CID 91432465
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
2-butan-2-yl-3-ethyl-4-methyloxolane
CID 59936247
ethane;(4-ethyl-5-methoxyoxolan-3-yl) 3-methylpyrrolidine-1-carboxylate
CID 170767406
4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558
(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 10329588
3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
CID 22948046
(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
CID 90394865
(2S,3R)-3-ethyl-2-methoxyoxolane
CID 142222546
(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
CID 67805624
(2R,3R,4R)-2-ethoxy-4-methyl-3-propan-2-yloxolane
CID 15416035
(2R,3S,4R)-2-ethoxy-4-methyl-3-propan-2-yloxolane
CID 15416034

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane?
The IUPAC name of (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane (CID 91010056) is (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane.
What is the SMILES notation for (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane?
The canonical SMILES for (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane is CCC1C(CC)[C@H](C)CO[C@H]1OC.
What is the InChIKey of (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane?
The InChIKey is XOKFGPUWSDEVHP-AGVGLQIMSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-9-8(3)7-13-11(12-4)10(9)6-2/h8-11H,5-7H2,1-4H3/t8-,9?,10?,11-/m1/s1.
What are the key properties of (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane?
(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane is sourced from PubChem (CID 91010056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).