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

C18H38O5 — CID 176652980

IUPAC2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCC(CC)OCCOCCOCCOCCO
InChIInChI=1S/C18H38O5/c1-3-5-6-7-8-9-18(4-2)23-17-16-22-15-14-21-13-12-20-11-10-19/h18-19H,3-17H2,1-2H3
InChIKeyPOICFAJOCCYXMO-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.18
Rot. Bonds19

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

2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 176652980) has the molecular formula C18H38O5 and a molecular weight of 334.50 g/mol. Its IUPAC name is 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID176652980
Molecular FormulaC18H38O5
Molecular Weight334.50 g/mol
Exact Mass334.27
IUPAC Name2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCC(CC)OCCOCCOCCOCCO
InChIInChI=1S/C18H38O5/c1-3-5-6-7-8-9-18(4-2)23-17-16-22-15-14-21-13-12-20-11-10-19/h18-19H,3-17H2,1-2H3
InChIKeyPOICFAJOCCYXMO-UHFFFAOYSA-N
XLogP3.18
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol (CID 176652980) is 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol is CCCCCCCC(CC)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is POICFAJOCCYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5/c1-3-5-6-7-8-9-18(4-2)23-17-16-22-15-14-21-13-12-20-11-10-19/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 334.50 g/mol, XLogP of 3.18, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176652980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).