2-(3-methylpentan-3-yloxy)ethanol

C8H18O2 — CID 13449961

IUPAC2-(3-methylpentan-3-yloxy)ethanol
SMILESCCC(C)(CC)OCCO
InChIInChI=1S/C8H18O2/c1-4-8(3,5-2)10-7-6-9/h9H,4-7H2,1-3H3
InChIKeyWWUIIUQHNGVQCT-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds5

About 2-(3-methylpentan-3-yloxy)ethanol

2-(3-methylpentan-3-yloxy)ethanol (PubChem CID 13449961) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yloxy)ethanol.

Molecular Properties

Compound Name2-(3-methylpentan-3-yloxy)ethanol
PubChem CID13449961
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-(3-methylpentan-3-yloxy)ethanol
SMILESCCC(C)(CC)OCCO
InChIInChI=1S/C8H18O2/c1-4-8(3,5-2)10-7-6-9/h9H,4-7H2,1-3H3
InChIKeyWWUIIUQHNGVQCT-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yloxy)ethanol?
The IUPAC name of 2-(3-methylpentan-3-yloxy)ethanol (CID 13449961) is 2-(3-methylpentan-3-yloxy)ethanol.
What is the SMILES notation for 2-(3-methylpentan-3-yloxy)ethanol?
The canonical SMILES for 2-(3-methylpentan-3-yloxy)ethanol is CCC(C)(CC)OCCO.
What is the InChIKey of 2-(3-methylpentan-3-yloxy)ethanol?
The InChIKey is WWUIIUQHNGVQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-8(3,5-2)10-7-6-9/h9H,4-7H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yloxy)ethanol?
2-(3-methylpentan-3-yloxy)ethanol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yloxy)ethanol is sourced from PubChem (CID 13449961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).