2-(5-methylhexan-3-yloxy)ethanol

C9H20O2 — CID 13449959

IUPAC2-(5-methylhexan-3-yloxy)ethanol
SMILESCCC(CC(C)C)OCCO
InChIInChI=1S/C9H20O2/c1-4-9(7-8(2)3)11-6-5-10/h8-10H,4-7H2,1-3H3
InChIKeyFJJRPUZISDZFKK-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds6

About 2-(5-methylhexan-3-yloxy)ethanol

2-(5-methylhexan-3-yloxy)ethanol (PubChem CID 13449959) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(5-methylhexan-3-yloxy)ethanol.

Molecular Properties

Compound Name2-(5-methylhexan-3-yloxy)ethanol
PubChem CID13449959
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-(5-methylhexan-3-yloxy)ethanol
SMILESCCC(CC(C)C)OCCO
InChIInChI=1S/C9H20O2/c1-4-9(7-8(2)3)11-6-5-10/h8-10H,4-7H2,1-3H3
InChIKeyFJJRPUZISDZFKK-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-3-yloxy)ethanol?
The IUPAC name of 2-(5-methylhexan-3-yloxy)ethanol (CID 13449959) is 2-(5-methylhexan-3-yloxy)ethanol.
What is the SMILES notation for 2-(5-methylhexan-3-yloxy)ethanol?
The canonical SMILES for 2-(5-methylhexan-3-yloxy)ethanol is CCC(CC(C)C)OCCO.
What is the InChIKey of 2-(5-methylhexan-3-yloxy)ethanol?
The InChIKey is FJJRPUZISDZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-9(7-8(2)3)11-6-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(5-methylhexan-3-yloxy)ethanol?
2-(5-methylhexan-3-yloxy)ethanol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-3-yloxy)ethanol is sourced from PubChem (CID 13449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).