2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C17H36O6 — CID 172858925

IUPAC2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCC(CC)OCCOCCOCCOCCOCCO
InChIInChI=1S/C17H36O6/c1-3-5-6-17(4-2)23-16-15-22-14-13-21-12-11-20-10-9-19-8-7-18/h17-18H,3-16H2,1-2H3
InChIKeyZCAFMBSRRCTNNW-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.03
Rot. Bonds19

About 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 172858925) has the molecular formula C17H36O6 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID172858925
Molecular FormulaC17H36O6
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Name2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCC(CC)OCCOCCOCCOCCOCCO
InChIInChI=1S/C17H36O6/c1-3-5-6-17(4-2)23-16-15-22-14-13-21-12-11-20-10-9-19-8-7-18/h17-18H,3-16H2,1-2H3
InChIKeyZCAFMBSRRCTNNW-UHFFFAOYSA-N
XLogP2.03
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol 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-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol
CID 18724197
2-[2-[2-[1-(2-propoxyethoxy)butan-2-yloxy]ethoxy]ethoxy]ethanol
CID 140916891
3-propoxyheptane
CID 91289422
2-[2-[2-[2-[2-(9-methyldecan-4-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 142651386
2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
CID 139910427
2-[2-[2-(2-ethoxyethoxy)ethoxy]butoxy]ethanol
CID 122516428
2-[2-(2-pentan-2-yloxyethoxy)ethoxy]ethanol
CID 23132047
3-nonoxypentan-1-ol
CID 141114457
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 172858925) is 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CCCCC(CC)OCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is ZCAFMBSRRCTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6/c1-3-5-6-17(4-2)23-16-15-22-14-13-21-12-11-20-10-9-19-8-7-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 336.47 g/mol, XLogP of 2.03, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 172858925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).