1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol

C11H24O5 — CID 104564611

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
SMILESCCC(O)COCCOCCOCCOC
InChIInChI=1S/C11H24O5/c1-3-11(12)10-16-9-8-15-7-6-14-5-4-13-2/h11-12H,3-10H2,1-2H3
InChIKeySHZCINPKNIAJAF-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.45
Rot. Bonds12

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol (PubChem CID 104564611) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
PubChem CID104564611
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
SMILESCCC(O)COCCOCCOCCOC
InChIInChI=1S/C11H24O5/c1-3-11(12)10-16-9-8-15-7-6-14-5-4-13-2/h11-12H,3-10H2,1-2H3
InChIKeySHZCINPKNIAJAF-UHFFFAOYSA-N
XLogP0.45
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.45
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

1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
methane;1-methoxybutan-2-ol
CID 161499525
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol (CID 104564611) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol is CCC(O)COCCOCCOCCOC.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol?
The InChIKey is SHZCINPKNIAJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-3-11(12)10-16-9-8-15-7-6-14-5-4-13-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol is sourced from PubChem (CID 104564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).