ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol

C14H32O6 — CID 87472116

IUPACethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
SMILESOCCCCOCCCCOCCCCO.OCCO
InChIInChI=1S/C12H26O4.C2H6O2/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14;3-1-2-4/h13-14H,1-12H2;3-4H,1-2H2
InChIKeyDQTZBIQVVGZCGC-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.32
Rot. Bonds14

About ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol

ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol (PubChem CID 87472116) has the molecular formula C14H32O6 and a molecular weight of 296.40 g/mol. Its IUPAC name is ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Nameethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
PubChem CID87472116
Molecular FormulaC14H32O6
Molecular Weight296.40 g/mol
Exact Mass296.22
IUPAC Nameethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
SMILESOCCCCOCCCCOCCCCO.OCCO
InChIInChI=1S/C12H26O4.C2H6O2/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14;3-1-2-4/h13-14H,1-12H2;3-4H,1-2H2
InChIKeyDQTZBIQVVGZCGC-UHFFFAOYSA-N
XLogP0.32
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
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
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
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
9-nonoxynonan-1-ol
CID 57318642
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol?
The IUPAC name of ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol (CID 87472116) is ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol.
What is the SMILES notation for ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol?
The canonical SMILES for ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol is OCCCCOCCCCOCCCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol?
The InChIKey is DQTZBIQVVGZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4.C2H6O2/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14;3-1-2-4/h13-14H,1-12H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol?
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol has a molecular weight of 296.40 g/mol, XLogP of 0.32, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol is sourced from PubChem (CID 87472116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).