2-ethoxy-2,4-dimethylpentane

C9H20O — CID 19768872

IUPAC2-ethoxy-2,4-dimethylpentane
SMILESCCOC(C)(C)CC(C)C
InChIInChI=1S/C9H20O/c1-6-10-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyMGLHTCLIAGVVPY-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds4

About 2-ethoxy-2,4-dimethylpentane

2-ethoxy-2,4-dimethylpentane (PubChem CID 19768872) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-ethoxy-2,4-dimethylpentane.

Molecular Properties

Compound Name2-ethoxy-2,4-dimethylpentane
PubChem CID19768872
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2-ethoxy-2,4-dimethylpentane
SMILESCCOC(C)(C)CC(C)C
InChIInChI=1S/C9H20O/c1-6-10-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyMGLHTCLIAGVVPY-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-2,4-dimethylpentane?
The IUPAC name of 2-ethoxy-2,4-dimethylpentane (CID 19768872) is 2-ethoxy-2,4-dimethylpentane.
What is the SMILES notation for 2-ethoxy-2,4-dimethylpentane?
The canonical SMILES for 2-ethoxy-2,4-dimethylpentane is CCOC(C)(C)CC(C)C.
What is the InChIKey of 2-ethoxy-2,4-dimethylpentane?
The InChIKey is MGLHTCLIAGVVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-6-10-9(4,5)7-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-2,4-dimethylpentane?
2-ethoxy-2,4-dimethylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4-dimethylpentane is sourced from PubChem (CID 19768872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).