2-ethyl-3-methoxy-5,6-dimethyloxane

C10H20O2 — CID 148593418

IUPAC2-ethyl-3-methoxy-5,6-dimethyloxane
SMILESCCC1OC(C)C(C)CC1OC
InChIInChI=1S/C10H20O2/c1-5-9-10(11-4)6-7(2)8(3)12-9/h7-10H,5-6H2,1-4H3
InChIKeyVPXPSONLRXCQCE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.22
Rot. Bonds2

About 2-ethyl-3-methoxy-5,6-dimethyloxane

2-ethyl-3-methoxy-5,6-dimethyloxane (PubChem CID 148593418) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-5,6-dimethyloxane.

Molecular Properties

Compound Name2-ethyl-3-methoxy-5,6-dimethyloxane
PubChem CID148593418
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-3-methoxy-5,6-dimethyloxane
SMILESCCC1OC(C)C(C)CC1OC
InChIInChI=1S/C10H20O2/c1-5-9-10(11-4)6-7(2)8(3)12-9/h7-10H,5-6H2,1-4H3
InChIKeyVPXPSONLRXCQCE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-5,6-dimethyloxane?
The IUPAC name of 2-ethyl-3-methoxy-5,6-dimethyloxane (CID 148593418) is 2-ethyl-3-methoxy-5,6-dimethyloxane.
What is the SMILES notation for 2-ethyl-3-methoxy-5,6-dimethyloxane?
The canonical SMILES for 2-ethyl-3-methoxy-5,6-dimethyloxane is CCC1OC(C)C(C)CC1OC.
What is the InChIKey of 2-ethyl-3-methoxy-5,6-dimethyloxane?
The InChIKey is VPXPSONLRXCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-10(11-4)6-7(2)8(3)12-9/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3-methoxy-5,6-dimethyloxane?
2-ethyl-3-methoxy-5,6-dimethyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-5,6-dimethyloxane is sourced from PubChem (CID 148593418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).