2-(2-hydroxyethoxy)ethanol;octan-1-ol

C12H28O4 — CID 155256848

IUPAC2-(2-hydroxyethoxy)ethanol;octan-1-ol
SMILESCCCCCCCCO.OCCOCCO
InChIInChI=1S/C8H18O.C4H10O3/c1-2-3-4-5-6-7-8-9;5-1-3-7-4-2-6/h9H,2-8H2,1H3;5-6H,1-4H2
InChIKeyYDZHPIMBLDIHEV-UHFFFAOYSA-N
MW236.35 g/mol
LogP1.33
Rot. Bonds10

About 2-(2-hydroxyethoxy)ethanol;octan-1-ol

2-(2-hydroxyethoxy)ethanol;octan-1-ol (PubChem CID 155256848) has the molecular formula C12H28O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;octan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;octan-1-ol
PubChem CID155256848
Molecular FormulaC12H28O4
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Name2-(2-hydroxyethoxy)ethanol;octan-1-ol
SMILESCCCCCCCCO.OCCOCCO
InChIInChI=1S/C8H18O.C4H10O3/c1-2-3-4-5-6-7-8-9;5-1-3-7-4-2-6/h9H,2-8H2,1H3;5-6H,1-4H2
InChIKeyYDZHPIMBLDIHEV-UHFFFAOYSA-N
XLogP1.33
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethanol;octan-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

azane;dodecan-1-ol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89123871
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-dodecoxyethanol
CID 24750
9-nonoxynonan-1-ol
CID 57318642
5-octoxypentan-1-ol
CID 22407981
2-tetradecoxyethanol
CID 16491
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;octan-1-ol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;octan-1-ol (CID 155256848) is 2-(2-hydroxyethoxy)ethanol;octan-1-ol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;octan-1-ol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;octan-1-ol is CCCCCCCCO.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;octan-1-ol?
The InChIKey is YDZHPIMBLDIHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10O3/c1-2-3-4-5-6-7-8-9;5-1-3-7-4-2-6/h9H,2-8H2,1H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;octan-1-ol?
2-(2-hydroxyethoxy)ethanol;octan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;octan-1-ol is sourced from PubChem (CID 155256848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).