2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol

C11H24O6 — CID 23391636

IUPAC2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol
SMILESCCC(COCCO)(COCCO)OCCO
InChIInChI=1S/C11H24O6/c1-2-11(17-8-5-14,9-15-6-3-12)10-16-7-4-13/h12-14H,2-10H2,1H3
InChIKeyUWVFQSPNIBXFGV-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.84
Rot. Bonds12

About 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol

2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol (PubChem CID 23391636) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol
PubChem CID23391636
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol
SMILESCCC(COCCO)(COCCO)OCCO
InChIInChI=1S/C11H24O6/c1-2-11(17-8-5-14,9-15-6-3-12)10-16-7-4-13/h12-14H,2-10H2,1H3
InChIKeyUWVFQSPNIBXFGV-UHFFFAOYSA-N
XLogP-0.84
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol (CID 23391636) is 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol is CCC(COCCO)(COCCO)OCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol?
The InChIKey is UWVFQSPNIBXFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6/c1-2-11(17-8-5-14,9-15-6-3-12)10-16-7-4-13/h12-14H,2-10H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol?
2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol has a molecular weight of 252.31 g/mol, XLogP of -0.84, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)butoxy]ethanol is sourced from PubChem (CID 23391636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).