4-[4-(2-ethylpentoxy)butoxy]butan-1-ol

C15H32O3 — CID 90192987

IUPAC4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
SMILESCCCC(CC)COCCCCOCCCCO
InChIInChI=1S/C15H32O3/c1-3-9-15(4-2)14-18-13-8-7-12-17-11-6-5-10-16/h15-16H,3-14H2,1-2H3
InChIKeyDUQTZCGQUVRKKN-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.40
Rot. Bonds14

About 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol

4-[4-(2-ethylpentoxy)butoxy]butan-1-ol (PubChem CID 90192987) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
PubChem CID90192987
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name4-[4-(2-ethylpentoxy)butoxy]butan-1-ol
SMILESCCCC(CC)COCCCCOCCCCO
InChIInChI=1S/C15H32O3/c1-3-9-15(4-2)14-18-13-8-7-12-17-11-6-5-10-16/h15-16H,3-14H2,1-2H3
InChIKeyDUQTZCGQUVRKKN-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158459561
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158486062
5-ethyloctan-1-ol
CID 22492547
(2R)-2-(hexadecoxymethyl)butan-1-ol
CID 134215286
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
2-(butoxymethyl)butan-1-ol
CID 20660357

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol?
The IUPAC name of 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol (CID 90192987) is 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol.
What is the SMILES notation for 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol?
The canonical SMILES for 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol is CCCC(CC)COCCCCOCCCCO.
What is the InChIKey of 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol?
The InChIKey is DUQTZCGQUVRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-3-9-15(4-2)14-18-13-8-7-12-17-11-6-5-10-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol?
4-[4-(2-ethylpentoxy)butoxy]butan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 3.40, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylpentoxy)butoxy]butan-1-ol is sourced from PubChem (CID 90192987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).