2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol

C12H26O5 — CID 18784446

IUPAC2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
SMILESCC(COCCO)COCC(C)COCCO
InChIInChI=1S/C12H26O5/c1-11(7-15-5-3-13)9-17-10-12(2)8-16-6-4-14/h11-14H,3-10H2,1-2H3
InChIKeyYMBLUKYYHXIMNB-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.29
Rot. Bonds12

About 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol

2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol (PubChem CID 18784446) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol.

Molecular Properties

Compound Name2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
PubChem CID18784446
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
SMILESCC(COCCO)COCC(C)COCCO
InChIInChI=1S/C12H26O5/c1-11(7-15-5-3-13)9-17-10-12(2)8-16-6-4-14/h11-14H,3-10H2,1-2H3
InChIKeyYMBLUKYYHXIMNB-UHFFFAOYSA-N
XLogP0.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.29
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

1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
CID 157087809
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol
CID 22374449
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
CID 174594441

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol?
The IUPAC name of 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol (CID 18784446) is 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol.
What is the SMILES notation for 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol?
The canonical SMILES for 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol is CC(COCCO)COCC(C)COCCO.
What is the InChIKey of 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol?
The InChIKey is YMBLUKYYHXIMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5/c1-11(7-15-5-3-13)9-17-10-12(2)8-16-6-4-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol?
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol has a molecular weight of 250.33 g/mol, XLogP of 0.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol is sourced from PubChem (CID 18784446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).