4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol

C13H28O4 — CID 90752305

IUPAC4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
SMILESOCCCCOCCCCCCOCCCO
InChIInChI=1S/C13H28O4/c14-8-3-6-12-16-10-4-1-2-5-11-17-13-7-9-15/h14-15H,1-13H2
InChIKeyNUIXDSGMWIAVTN-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.73
Rot. Bonds14

About 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol (PubChem CID 90752305) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol.

Molecular Properties

Compound Name4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
PubChem CID90752305
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
SMILESOCCCCOCCCCCCOCCCO
InChIInChI=1S/C13H28O4/c14-8-3-6-12-16-10-4-1-2-5-11-17-13-7-9-15/h14-15H,1-13H2
InChIKeyNUIXDSGMWIAVTN-UHFFFAOYSA-N
XLogP1.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
5-(2-bromoethoxy)pentan-1-ol
CID 87396378
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol?
The IUPAC name of 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol (CID 90752305) is 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol.
What is the SMILES notation for 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol?
The canonical SMILES for 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol is OCCCCOCCCCCCOCCCO.
What is the InChIKey of 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol?
The InChIKey is NUIXDSGMWIAVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c14-8-3-6-12-16-10-4-1-2-5-11-17-13-7-9-15/h14-15H,1-13H2.
What are the key properties of 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol?
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol has a molecular weight of 248.36 g/mol, XLogP of 1.73, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol is sourced from PubChem (CID 90752305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).