2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol

C19H44O11 — CID 159075301

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
SMILESCCCCOCCOCCOCCO.OCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C10H22O4.C6H14O4.C3H8O3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;7-1-3-9-5-6-10-4-2-8;4-1-3(6)2-5/h11H,2-10H2,1H3;7-8H,1-6H2;3-6H,1-2H2
InChIKeyKAEGBHGYCOKIIP-UHFFFAOYSA-N
MW448.55 g/mol
LogP-1.84
Rot. Bonds20

About 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol

2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol (PubChem CID 159075301) has the molecular formula C19H44O11 and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
PubChem CID159075301
Molecular FormulaC19H44O11
Molecular Weight448.55 g/mol
Exact Mass448.29
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
SMILESCCCCOCCOCCOCCO.OCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C10H22O4.C6H14O4.C3H8O3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;7-1-3-9-5-6-10-4-2-8;4-1-3(6)2-5/h11H,2-10H2,1H3;7-8H,1-6H2;3-6H,1-2H2
InChIKeyKAEGBHGYCOKIIP-UHFFFAOYSA-N
XLogP-1.84
TPSA167.53 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500448.55
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol 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

2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol
CID 8133
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
1-dodecoxydodecane;tetrakis(propane-1,2,3-triol)
CID 18779944
1-dodecoxydodecane;decakis(propane-1,2,3-triol)
CID 18779938
1-nonoxynonane;propane-1,2,3-triol
CID 87147936
1-hexadecoxyhexadecane;bis(propane-1,2,3-triol)
CID 18958593
1-octadecoxyoctadecane;propane-1,2,3-triol
CID 22182873
1-decoxydecane;decakis(propane-1,2,3-triol)
CID 173382883
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol (CID 159075301) is 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol is CCCCOCCOCCOCCO.OCC(O)CO.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol?
The InChIKey is KAEGBHGYCOKIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C6H14O4.C3H8O3/c1-2-3-5-12-7-9-14-10-8-13-6-4-11;7-1-3-9-5-6-10-4-2-8;4-1-3(6)2-5/h11H,2-10H2,1H3;7-8H,1-6H2;3-6H,1-2H2.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol?
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol has a molecular weight of 448.55 g/mol, XLogP of -1.84, 20 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol is sourced from PubChem (CID 159075301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).