1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol

C25H52O11 — CID 140523672

IUPAC1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
SMILESCCCCCC(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C25H52O11/c1-2-3-4-5-25(27)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-26/h25-27H,2-24H2,1H3
InChIKeyUNAIAFTVOQUFJE-UHFFFAOYSA-N
MW528.68 g/mol
LogP1.07
Rot. Bonds32

About 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol (PubChem CID 140523672) has the molecular formula C25H52O11 and a molecular weight of 528.68 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
PubChem CID140523672
Molecular FormulaC25H52O11
Molecular Weight528.68 g/mol
Exact Mass528.35
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
SMILESCCCCCC(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C25H52O11/c1-2-3-4-5-25(27)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-26/h25-27H,2-24H2,1H3
InChIKeyUNAIAFTVOQUFJE-UHFFFAOYSA-N
XLogP1.07
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
CID 142397445
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
CID 172848066
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
4-(2-butoxyethoxy)butane-1,3-diol
CID 174811578
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol (CID 140523672) is 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol is CCCCCC(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol?
The InChIKey is UNAIAFTVOQUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O11/c1-2-3-4-5-25(27)24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29-9-8-28-7-6-26/h25-27H,2-24H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol?
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol has a molecular weight of 528.68 g/mol, XLogP of 1.07, 32 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol is sourced from PubChem (CID 140523672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).