2-ethoxy-5-methylhexane

C9H20O — CID 57176283

IUPAC2-ethoxy-5-methylhexane
SMILESCCOC(C)CCC(C)C
InChIInChI=1S/C9H20O/c1-5-10-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyHUDRFNABXIRGHA-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds5

About 2-ethoxy-5-methylhexane

2-ethoxy-5-methylhexane (PubChem CID 57176283) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethoxy-5-methylhexane.

Molecular Properties

Compound Name2-ethoxy-5-methylhexane
PubChem CID57176283
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-ethoxy-5-methylhexane
SMILESCCOC(C)CCC(C)C
InChIInChI=1S/C9H20O/c1-5-10-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyHUDRFNABXIRGHA-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylhexane?
The IUPAC name of 2-ethoxy-5-methylhexane (CID 57176283) is 2-ethoxy-5-methylhexane.
What is the SMILES notation for 2-ethoxy-5-methylhexane?
The canonical SMILES for 2-ethoxy-5-methylhexane is CCOC(C)CCC(C)C.
What is the InChIKey of 2-ethoxy-5-methylhexane?
The InChIKey is HUDRFNABXIRGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-10-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-5-methylhexane?
2-ethoxy-5-methylhexane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylhexane is sourced from PubChem (CID 57176283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).