3-ethoxy-3-methylpentane

C8H18O — CID 13272235

IUPAC3-ethoxy-3-methylpentane
SMILESCCOC(C)(CC)CC
InChIInChI=1S/C8H18O/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3
InChIKeyJLIJUQBAUMUMJK-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.60
Rot. Bonds4

About 3-ethoxy-3-methylpentane

3-ethoxy-3-methylpentane (PubChem CID 13272235) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-ethoxy-3-methylpentane.

Molecular Properties

Compound Name3-ethoxy-3-methylpentane
PubChem CID13272235
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-ethoxy-3-methylpentane
SMILESCCOC(C)(CC)CC
InChIInChI=1S/C8H18O/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3
InChIKeyJLIJUQBAUMUMJK-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methylpentane?
The IUPAC name of 3-ethoxy-3-methylpentane (CID 13272235) is 3-ethoxy-3-methylpentane.
What is the SMILES notation for 3-ethoxy-3-methylpentane?
The canonical SMILES for 3-ethoxy-3-methylpentane is CCOC(C)(CC)CC.
What is the InChIKey of 3-ethoxy-3-methylpentane?
The InChIKey is JLIJUQBAUMUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3.
What are the key properties of 3-ethoxy-3-methylpentane?
3-ethoxy-3-methylpentane has a molecular weight of 130.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methylpentane is sourced from PubChem (CID 13272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).