2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane

C26H56O5 — CID 175607007

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
SMILESCCCCCC(CCC)COCC(CCC)CCCCC.OCCOCCOCCO
InChIInChI=1S/C20H42O.C6H14O4/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;7-1-3-9-5-6-10-4-2-8/h19-20H,5-18H2,1-4H3;7-8H,1-6H2
InChIKeyAHRKJCUGOGTAEP-UHFFFAOYSA-N
MW448.73 g/mol
LogP6.00
Rot. Bonds23

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane (PubChem CID 175607007) has the molecular formula C26H56O5 and a molecular weight of 448.73 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
PubChem CID175607007
Molecular FormulaC26H56O5
Molecular Weight448.73 g/mol
Exact Mass448.41
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
SMILESCCCCCC(CCC)COCC(CCC)CCCCC.OCCOCCOCCO
InChIInChI=1S/C20H42O.C6H14O4/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;7-1-3-9-5-6-10-4-2-8/h19-20H,5-18H2,1-4H3;7-8H,1-6H2
InChIKeyAHRKJCUGOGTAEP-UHFFFAOYSA-N
XLogP6.00
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propylnonoxy)ethanol
CID 168837428
4-(2-propylheptoxymethyl)nonane
CID 56652319
2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158459561
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158486062
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
4-(butoxymethyl)nonane
CID 87066766
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane (CID 175607007) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane is CCCCCC(CCC)COCC(CCC)CCCCC.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane?
The InChIKey is AHRKJCUGOGTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.C6H14O4/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;7-1-3-9-5-6-10-4-2-8/h19-20H,5-18H2,1-4H3;7-8H,1-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane has a molecular weight of 448.73 g/mol, XLogP of 6.00, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane is sourced from PubChem (CID 175607007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).