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

C14H30O6 — CID 12645981

IUPAC1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
SMILESCCC(O)COCCOCCOCCOCC(O)CC
InChIInChI=1S/C14H30O6/c1-3-13(15)11-19-9-7-17-5-6-18-8-10-20-12-14(16)4-2/h13-16H,3-12H2,1-2H3
InChIKeyHZJVZKOQJHFJRW-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.59
Rot. Bonds15

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

1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol (PubChem CID 12645981) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
PubChem CID12645981
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
SMILESCCC(O)COCCOCCOCCOCC(O)CC
InChIInChI=1S/C14H30O6/c1-3-13(15)11-19-9-7-17-5-6-18-8-10-20-12-14(16)4-2/h13-16H,3-12H2,1-2H3
InChIKeyHZJVZKOQJHFJRW-UHFFFAOYSA-N
XLogP0.59
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
(2R)-1-butoxybutan-2-ol
CID 27255938
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol?
The IUPAC name of 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol (CID 12645981) is 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol is CCC(O)COCCOCCOCCOCC(O)CC.
What is the InChIKey of 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol?
The InChIKey is HZJVZKOQJHFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-3-13(15)11-19-9-7-17-5-6-18-8-10-20-12-14(16)4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol?
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 0.59, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol is sourced from PubChem (CID 12645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).