2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol

C20H42O5 — CID 176652982

IUPAC2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCC(CC)CCCCCCOCCOCCOCCOCCO
InChIInChI=1S/C20H42O5/c1-3-9-20(4-2)10-7-5-6-8-12-22-14-16-24-18-19-25-17-15-23-13-11-21/h20-21H,3-19H2,1-2H3
InChIKeyXYMBPJMUSDHJBK-UHFFFAOYSA-N
MW362.55 g/mol
LogP3.82
Rot. Bonds21

About 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 176652982) has the molecular formula C20H42O5 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID176652982
Molecular FormulaC20H42O5
Molecular Weight362.55 g/mol
Exact Mass362.30
IUPAC Name2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCC(CC)CCCCCCOCCOCCOCCOCCO
InChIInChI=1S/C20H42O5/c1-3-9-20(4-2)10-7-5-6-8-12-22-14-16-24-18-19-25-17-15-23-13-11-21/h20-21H,3-19H2,1-2H3
InChIKeyXYMBPJMUSDHJBK-UHFFFAOYSA-N
XLogP3.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 53.82
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

2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
3-(3-ethyldecoxy)propan-1-ol
CID 22044187
18-ethylhenicosan-1-ol
CID 87097708
2-(4-butyldecoxy)ethanol
CID 166649163
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038
15-propyl-1-(15-propylhentriacontoxy)hentriacontane
CID 57489427

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 176652982) is 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol is CCCC(CC)CCCCCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is XYMBPJMUSDHJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5/c1-3-9-20(4-2)10-7-5-6-8-12-22-14-16-24-18-19-25-17-15-23-13-11-21/h20-21H,3-19H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 362.55 g/mol, XLogP of 3.82, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176652982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).