2-(2-methoxybutan-2-yloxy)ethanol

C7H16O3 — CID 139725326

IUPAC2-(2-methoxybutan-2-yloxy)ethanol
SMILESCCC(C)(OC)OCCO
InChIInChI=1S/C7H16O3/c1-4-7(2,9-3)10-6-5-8/h8H,4-6H2,1-3H3
InChIKeyQRLZYENMGYBCCP-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds5

About 2-(2-methoxybutan-2-yloxy)ethanol

2-(2-methoxybutan-2-yloxy)ethanol (PubChem CID 139725326) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-(2-methoxybutan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(2-methoxybutan-2-yloxy)ethanol
PubChem CID139725326
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-(2-methoxybutan-2-yloxy)ethanol
SMILESCCC(C)(OC)OCCO
InChIInChI=1S/C7H16O3/c1-4-7(2,9-3)10-6-5-8/h8H,4-6H2,1-3H3
InChIKeyQRLZYENMGYBCCP-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutan-2-yloxy)ethanol?
The IUPAC name of 2-(2-methoxybutan-2-yloxy)ethanol (CID 139725326) is 2-(2-methoxybutan-2-yloxy)ethanol.
What is the SMILES notation for 2-(2-methoxybutan-2-yloxy)ethanol?
The canonical SMILES for 2-(2-methoxybutan-2-yloxy)ethanol is CCC(C)(OC)OCCO.
What is the InChIKey of 2-(2-methoxybutan-2-yloxy)ethanol?
The InChIKey is QRLZYENMGYBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-7(2,9-3)10-6-5-8/h8H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxybutan-2-yloxy)ethanol?
2-(2-methoxybutan-2-yloxy)ethanol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutan-2-yloxy)ethanol is sourced from PubChem (CID 139725326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).