(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane

C10H20O2 — CID 7783981

IUPAC(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane
SMILESCC[C@@]1(C)CC[C@H](C)[C@H](OC)O1
InChIInChI=1S/C10H20O2/c1-5-10(3)7-6-8(2)9(11-4)12-10/h8-9H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeyZPFYNSQUNAZKET-AEJSXWLSSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds2

About (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane

(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane (PubChem CID 7783981) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane.

Molecular Properties

Compound Name(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane
PubChem CID7783981
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane
SMILESCC[C@@]1(C)CC[C@H](C)[C@H](OC)O1
InChIInChI=1S/C10H20O2/c1-5-10(3)7-6-8(2)9(11-4)12-10/h8-9H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeyZPFYNSQUNAZKET-AEJSXWLSSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-methoxy-2,5-dimethyloxane
CID 5136867
5-methoxy-2,2-dimethyloxolane
CID 19753537
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
4-ethyl-4-methylcyclohexane-1-thiol
CID 148627567
(2R,6S)-2-ethyl-6-hexyl-2-methyloxane
CID 102172667
2-[5-(methoxymethyl)-5-methyloxolan-2-yl]acetonitrile
CID 130585649
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
3-ethyl-6-methoxyoxan-3-ol
CID 135225267
(2R,3R,4R,5R,6S)-2-(butoxymethyl)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 157144346
2-ethyl-2,6-dimethylmorpholine
CID 65102213

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane?
The IUPAC name of (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane (CID 7783981) is (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane.
What is the SMILES notation for (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane?
The canonical SMILES for (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane is CC[C@@]1(C)CC[C@H](C)[C@H](OC)O1.
What is the InChIKey of (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane?
The InChIKey is ZPFYNSQUNAZKET-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-10(3)7-6-8(2)9(11-4)12-10/h8-9H,5-7H2,1-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane?
(2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6R)-2-ethyl-6-methoxy-2,5-dimethyloxane is sourced from PubChem (CID 7783981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).