(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane

C11H22O3 — CID 163476629

IUPAC(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
SMILESCCC1CC(C)C(COC)O[C@H]1OC
InChIInChI=1S/C11H22O3/c1-5-9-6-8(2)10(7-12-3)14-11(9)13-4/h8-11H,5-7H2,1-4H3/t8?,9?,10?,11-/m1/s1
InChIKeyCAZDYYAAKXUZAT-AHELAYONSA-N
MW202.29 g/mol
LogP2.06
Rot. Bonds4

About (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane

(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane (PubChem CID 163476629) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
PubChem CID163476629
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
SMILESCCC1CC(C)C(COC)O[C@H]1OC
InChIInChI=1S/C11H22O3/c1-5-9-6-8(2)10(7-12-3)14-11(9)13-4/h8-11H,5-7H2,1-4H3/t8?,9?,10?,11-/m1/s1
InChIKeyCAZDYYAAKXUZAT-AHELAYONSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 90136214
CID 90136214
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
2-(ethoxymethyl)-3-methoxyoxirane
CID 140519592
1-ethyl-3-methoxy-2,4-dimethylcyclopentane
CID 123552020
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane?
The IUPAC name of (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane (CID 163476629) is (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane?
The canonical SMILES for (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane is CCC1CC(C)C(COC)O[C@H]1OC.
What is the InChIKey of (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane?
The InChIKey is CAZDYYAAKXUZAT-AHELAYONSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-9-6-8(2)10(7-12-3)14-11(9)13-4/h8-11H,5-7H2,1-4H3/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane?
(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane has a molecular weight of 202.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 163476629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).