2-ethyl-3,4,5-trimethyloxane

C10H20O — CID 58669422

IUPAC2-ethyl-3,4,5-trimethyloxane
SMILESCCC1OCC(C)C(C)C1C
InChIInChI=1S/C10H20O/c1-5-10-9(4)8(3)7(2)6-11-10/h7-10H,5-6H2,1-4H3
InChIKeyPOOOMWMSBYGOOE-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds1

About 2-ethyl-3,4,5-trimethyloxane

2-ethyl-3,4,5-trimethyloxane (PubChem CID 58669422) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyloxane
PubChem CID58669422
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-ethyl-3,4,5-trimethyloxane
SMILESCCC1OCC(C)C(C)C1C
InChIInChI=1S/C10H20O/c1-5-10-9(4)8(3)7(2)6-11-10/h7-10H,5-6H2,1-4H3
InChIKeyPOOOMWMSBYGOOE-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyloxane?
The IUPAC name of 2-ethyl-3,4,5-trimethyloxane (CID 58669422) is 2-ethyl-3,4,5-trimethyloxane.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyloxane?
The canonical SMILES for 2-ethyl-3,4,5-trimethyloxane is CCC1OCC(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyloxane?
The InChIKey is POOOMWMSBYGOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10-9(4)8(3)7(2)6-11-10/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3,4,5-trimethyloxane?
2-ethyl-3,4,5-trimethyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyloxane is sourced from PubChem (CID 58669422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).