3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol

C18H36O9 — CID 18989101

IUPAC3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
SMILESCC(O)C(CC1CO1)OCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H36O9/c1-16(20)18(14-17-15-27-17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-19/h16-20H,2-15H2,1H3
InChIKeyPFAFHYXRYGARCW-UHFFFAOYSA-N
MW396.48 g/mol
LogP-0.38
Rot. Bonds21

About 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol

3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol (PubChem CID 18989101) has the molecular formula C18H36O9 and a molecular weight of 396.48 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
PubChem CID18989101
Molecular FormulaC18H36O9
Molecular Weight396.48 g/mol
Exact Mass396.24
IUPAC Name3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
SMILESCC(O)C(CC1CO1)OCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H36O9/c1-16(20)18(14-17-15-27-17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-19/h16-20H,2-15H2,1H3
InChIKeyPFAFHYXRYGARCW-UHFFFAOYSA-N
XLogP-0.38
TPSA108.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
CID 139962593
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
CID 19986963
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butane-1,2,4-triol
CID 22358954
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol?
The IUPAC name of 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol (CID 18989101) is 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol?
The canonical SMILES for 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol is CC(O)C(CC1CO1)OCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol?
The InChIKey is PFAFHYXRYGARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O9/c1-16(20)18(14-17-15-27-17)26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-19/h16-20H,2-15H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol?
3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol has a molecular weight of 396.48 g/mol, XLogP of -0.38, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol is sourced from PubChem (CID 18989101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).