1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol

C13H28O9 — CID 20813416

IUPAC1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
SMILESOCCOCC(OCCO)C(O)C(COCCO)OCCO
InChIInChI=1S/C13H28O9/c14-1-5-19-9-11(21-7-3-16)13(18)12(22-8-4-17)10-20-6-2-15/h11-18H,1-10H2
InChIKeyAWAHZBQMGQMGOT-UHFFFAOYSA-N
MW328.36 g/mol
LogP-2.88
Rot. Bonds16

About 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol

1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol (PubChem CID 20813416) has the molecular formula C13H28O9 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol.

Molecular Properties

Compound Name1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
PubChem CID20813416
Molecular FormulaC13H28O9
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol
SMILESOCCOCC(OCCO)C(O)C(COCCO)OCCO
InChIInChI=1S/C13H28O9/c14-1-5-19-9-11(21-7-3-16)13(18)12(22-8-4-17)10-20-6-2-15/h11-18H,1-10H2
InChIKeyAWAHZBQMGQMGOT-UHFFFAOYSA-N
XLogP-2.88
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol?
The IUPAC name of 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol (CID 20813416) is 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol.
What is the SMILES notation for 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol?
The canonical SMILES for 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol is OCCOCC(OCCO)C(O)C(COCCO)OCCO.
What is the InChIKey of 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol?
The InChIKey is AWAHZBQMGQMGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O9/c14-1-5-19-9-11(21-7-3-16)13(18)12(22-8-4-17)10-20-6-2-15/h11-18H,1-10H2.
What are the key properties of 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol?
1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol has a molecular weight of 328.36 g/mol, XLogP of -2.88, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(2-hydroxyethoxy)pentan-3-ol is sourced from PubChem (CID 20813416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).