(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane

C11H22O2 — CID 70332512

IUPAC(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane
SMILESCC[C@]1(C)CC[C@](C)(COC)CO1
InChIInChI=1S/C11H22O2/c1-5-11(3)7-6-10(2,8-12-4)9-13-11/h5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyXENCWMGMHYMOES-GHMZBOCLSA-N
MW186.29 g/mol
LogP2.62
Rot. Bonds3

About (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane

(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane (PubChem CID 70332512) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane.

Molecular Properties

Compound Name(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane
PubChem CID70332512
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane
SMILESCC[C@]1(C)CC[C@](C)(COC)CO1
InChIInChI=1S/C11H22O2/c1-5-11(3)7-6-10(2,8-12-4)9-13-11/h5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyXENCWMGMHYMOES-GHMZBOCLSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane?
The IUPAC name of (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane (CID 70332512) is (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane.
What is the SMILES notation for (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane?
The canonical SMILES for (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane is CC[C@]1(C)CC[C@](C)(COC)CO1.
What is the InChIKey of (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane?
The InChIKey is XENCWMGMHYMOES-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-11(3)7-6-10(2,8-12-4)9-13-11/h5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane?
(2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethyl-5-(methoxymethyl)-2,5-dimethyloxane is sourced from PubChem (CID 70332512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).