2-(3-methylbutoxy)ethanol

C7H16O2 — CID 526908

IUPAC2-(3-methylbutoxy)ethanol
SMILESCC(C)CCOCCO
InChIInChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyNCHBYORVPVDWBJ-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds5

About 2-(3-methylbutoxy)ethanol

2-(3-methylbutoxy)ethanol (PubChem CID 526908) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2-(3-methylbutoxy)ethanol.

Molecular Properties

Compound Name2-(3-methylbutoxy)ethanol
PubChem CID526908
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2-(3-methylbutoxy)ethanol
SMILESCC(C)CCOCCO
InChIInChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyNCHBYORVPVDWBJ-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)ethanol?
The IUPAC name of 2-(3-methylbutoxy)ethanol (CID 526908) is 2-(3-methylbutoxy)ethanol.
What is the SMILES notation for 2-(3-methylbutoxy)ethanol?
The canonical SMILES for 2-(3-methylbutoxy)ethanol is CC(C)CCOCCO.
What is the InChIKey of 2-(3-methylbutoxy)ethanol?
The InChIKey is NCHBYORVPVDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)ethanol?
2-(3-methylbutoxy)ethanol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)ethanol is sourced from PubChem (CID 526908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).