2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol

C18H38O4 — CID 59203503

IUPAC2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCC(C)COCCOCCOCCO
InChIInChI=1S/C18H38O4/c1-3-4-5-6-7-8-9-10-18(2)17-22-16-15-21-14-13-20-12-11-19/h18-19H,3-17H2,1-2H3
InChIKeyKKBRBVJCLWKIFR-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.81
Rot. Bonds18

About 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol (PubChem CID 59203503) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
PubChem CID59203503
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCC(C)COCCOCCOCCO
InChIInChI=1S/C18H38O4/c1-3-4-5-6-7-8-9-10-18(2)17-22-16-15-21-14-13-20-12-11-19/h18-19H,3-17H2,1-2H3
InChIKeyKKBRBVJCLWKIFR-UHFFFAOYSA-N
XLogP3.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653158
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038
3-(2-methylhexoxy)propan-1-ol
CID 134975986
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
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-propylnonoxy)ethanol
CID 168837428

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol (CID 59203503) is 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol is CCCCCCCCCC(C)COCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol?
The InChIKey is KKBRBVJCLWKIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-3-4-5-6-7-8-9-10-18(2)17-22-16-15-21-14-13-20-12-11-19/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol has a molecular weight of 318.50 g/mol, XLogP of 3.81, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 59203503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).