4-(2-hydroxyethoxy)butan-1-ol

C6H14O3 — CID 22352609

IUPAC4-(2-hydroxyethoxy)butan-1-ol
SMILESOCCCCOCCO
InChIInChI=1S/C6H14O3/c7-3-1-2-5-9-6-4-8/h7-8H,1-6H2
InChIKeyNAUQRAYPVWKGHO-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.23
Rot. Bonds6

About 4-(2-hydroxyethoxy)butan-1-ol

4-(2-hydroxyethoxy)butan-1-ol (PubChem CID 22352609) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)butan-1-ol
PubChem CID22352609
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name4-(2-hydroxyethoxy)butan-1-ol
SMILESOCCCCOCCO
InChIInChI=1S/C6H14O3/c7-3-1-2-5-9-6-4-8/h7-8H,1-6H2
InChIKeyNAUQRAYPVWKGHO-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(2-hydroxyethoxy)butan-1-ol?
The IUPAC name of 4-(2-hydroxyethoxy)butan-1-ol (CID 22352609) is 4-(2-hydroxyethoxy)butan-1-ol.
What is the SMILES notation for 4-(2-hydroxyethoxy)butan-1-ol?
The canonical SMILES for 4-(2-hydroxyethoxy)butan-1-ol is OCCCCOCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)butan-1-ol?
The InChIKey is NAUQRAYPVWKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c7-3-1-2-5-9-6-4-8/h7-8H,1-6H2.
What are the key properties of 4-(2-hydroxyethoxy)butan-1-ol?
4-(2-hydroxyethoxy)butan-1-ol has a molecular weight of 134.18 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)butan-1-ol is sourced from PubChem (CID 22352609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).