(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane

C11H22O — CID 59944457

IUPAC(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
SMILESCC[C@@H]1O[C@H](C)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyQXGXZFCIOMNNOY-DAWVFNFOSA-N
MW170.30 g/mol
LogP3.09
Rot. Bonds1

About (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane

(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane (PubChem CID 59944457) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
PubChem CID59944457
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
SMILESCC[C@@H]1O[C@H](C)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyQXGXZFCIOMNNOY-DAWVFNFOSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane?
The IUPAC name of (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane (CID 59944457) is (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane is CC[C@@H]1O[C@H](C)[C@@H](C)[C@H](C)[C@H]1C.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane?
The InChIKey is QXGXZFCIOMNNOY-DAWVFNFOSA-N. The full InChI is InChI=1S/C11H22O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-11H,6H2,1-5H3/t7-,8-,9+,10+,11-/m0/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane?
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 59944457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).