1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol

C18H38O8 — CID 140523652

IUPAC1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)COCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O8/c1-18(2,3)17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h17,19-20H,4-16H2,1-3H3
InChIKeyQLEFZJUGUXSLGF-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.49
Rot. Bonds19

About 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol

1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol (PubChem CID 140523652) has the molecular formula C18H38O8 and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
PubChem CID140523652
Molecular FormulaC18H38O8
Molecular Weight382.49 g/mol
Exact Mass382.26
IUPAC Name1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)COCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O8/c1-18(2,3)17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h17,19-20H,4-16H2,1-3H3
InChIKeyQLEFZJUGUXSLGF-UHFFFAOYSA-N
XLogP0.49
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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2,5,8,11,14,17,20-Heptamethyl-3,6,9,12,15,18,21-heptaoxatetracosane-1,23-diol
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2,5,8,11-Tetramethyl-3,6,9,12-tetraoxahexadecan-1-ol
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5,8,11,14,17,20-Hexaoxaheneicosan-3-ol, 6,9,12,15,18-pentamethyl-
CID 5748723
5,8,11,14,17,20,23-Heptaoxatetracosan-3-ol, 6,9,12,15,18,21-hexamethyl-
CID 5748725
4,7,10,13,16,19-Hexamethyl-2,5,8,11,14,17,20-heptaoxatetracosan-22-ol
CID 20834288
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CID 16219221
Octapropylene glycol monobutyl ether
CID 20485684
1-(2-Methoxyethoxy)-3,3-dimethylbutan-2-ol
CID 53621932
(2s)-1-[3-{[(2r)-2-Hydroxypropyl]oxy}-2,2-Bis({[(2r)-2-Hydroxypropyl]oxy}methyl)propoxy]propan-2-Ol
CID 45489525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol (CID 140523652) is 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)COCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol?
The InChIKey is QLEFZJUGUXSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O8/c1-18(2,3)17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h17,19-20H,4-16H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol?
1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol has a molecular weight of 382.49 g/mol, XLogP of 0.49, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 140523652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).