2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol

C9H20O3 — CID 87592876

IUPAC2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
SMILESCC(C)C(C)OCCOCCO
InChIInChI=1S/C9H20O3/c1-8(2)9(3)12-7-6-11-5-4-10/h8-10H,4-7H2,1-3H3
InChIKeyFSEWRVPGAGRVLM-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol

2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol (PubChem CID 87592876) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
PubChem CID87592876
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
SMILESCC(C)C(C)OCCOCCO
InChIInChI=1S/C9H20O3/c1-8(2)9(3)12-7-6-11-5-4-10/h8-10H,4-7H2,1-3H3
InChIKeyFSEWRVPGAGRVLM-UHFFFAOYSA-N
XLogP1.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanamine
CID 103482563
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol (CID 87592876) is 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol is CC(C)C(C)OCCOCCO.
What is the InChIKey of 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol?
The InChIKey is FSEWRVPGAGRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-8(2)9(3)12-7-6-11-5-4-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol?
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol has a molecular weight of 176.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol is sourced from PubChem (CID 87592876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).