(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane

C10H20O2 — CID 134557149

IUPAC(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane
SMILESCOCCC1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H20O2/c1-8-6-10(4-5-11-3)7-9(2)12-8/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyCOKFJVHTOJGSEZ-IUCAKERBSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane

(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane (PubChem CID 134557149) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane.

Molecular Properties

Compound Name(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane
PubChem CID134557149
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane
SMILESCOCCC1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H20O2/c1-8-6-10(4-5-11-3)7-9(2)12-8/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyCOKFJVHTOJGSEZ-IUCAKERBSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane?
The IUPAC name of (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane (CID 134557149) is (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane.
What is the SMILES notation for (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane?
The canonical SMILES for (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane is COCCC1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane?
The InChIKey is COKFJVHTOJGSEZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20O2/c1-8-6-10(4-5-11-3)7-9(2)12-8/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane?
(2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(2-methoxyethyl)-2,6-dimethyloxane is sourced from PubChem (CID 134557149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).