(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane

C10H20O2 — CID 90394865

IUPAC(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
SMILESCC[C@@H]1C[C@H](C)[C@@H](C)C(OC)O1
InChIInChI=1S/C10H20O2/c1-5-9-6-7(2)8(3)10(11-4)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10?/m0/s1
InChIKeyDGGLWDUTZKHZSW-UWOKOIHUSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds2

About (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane

(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane (PubChem CID 90394865) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane.

Molecular Properties

Compound Name(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
PubChem CID90394865
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
SMILESCC[C@@H]1C[C@H](C)[C@@H](C)C(OC)O1
InChIInChI=1S/C10H20O2/c1-5-9-6-7(2)8(3)10(11-4)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10?/m0/s1
InChIKeyDGGLWDUTZKHZSW-UWOKOIHUSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane?
The IUPAC name of (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane (CID 90394865) is (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane.
What is the SMILES notation for (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane?
The canonical SMILES for (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane is CC[C@@H]1C[C@H](C)[C@@H](C)C(OC)O1.
What is the InChIKey of (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane?
The InChIKey is DGGLWDUTZKHZSW-UWOKOIHUSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-6-7(2)8(3)10(11-4)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10?/m0/s1.
What are the key properties of (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane?
(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane is sourced from PubChem (CID 90394865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).