2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane

C17H38O4 — CID 19693410

IUPAC2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane
SMILESCCCCCOCC(CC)CCCC.OCCOCCO
InChIInChI=1S/C13H28O.C4H10O3/c1-4-7-9-11-14-12-13(6-3)10-8-5-2;5-1-3-7-4-2-6/h13H,4-12H2,1-3H3;5-6H,1-4H2
InChIKeyOTAWVUAHYOEQRW-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.40
Rot. Bonds14

About 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane

2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane (PubChem CID 19693410) has the molecular formula C17H38O4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane
PubChem CID19693410
Molecular FormulaC17H38O4
Molecular Weight306.49 g/mol
Exact Mass306.28
IUPAC Name2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane
SMILESCCCCCOCC(CC)CCCC.OCCOCCO
InChIInChI=1S/C13H28O.C4H10O3/c1-4-7-9-11-14-12-13(6-3)10-8-5-2;5-1-3-7-4-2-6/h13H,4-12H2,1-3H3;5-6H,1-4H2
InChIKeyOTAWVUAHYOEQRW-UHFFFAOYSA-N
XLogP3.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane (CID 19693410) is 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane is CCCCCOCC(CC)CCCC.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane?
The InChIKey is OTAWVUAHYOEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C4H10O3/c1-4-7-9-11-14-12-13(6-3)10-8-5-2;5-1-3-7-4-2-6/h13H,4-12H2,1-3H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane?
2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane has a molecular weight of 306.49 g/mol, XLogP of 3.40, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;3-(pentoxymethyl)heptane is sourced from PubChem (CID 19693410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).