1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol

C16H34O8 — CID 142397445

IUPAC1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
SMILESOCCOCCOCC(O)CCCCC(O)COCCOCCO
InChIInChI=1S/C16H34O8/c17-5-7-21-9-11-23-13-15(19)3-1-2-4-16(20)14-24-12-10-22-8-6-18/h15-20H,1-14H2
InChIKeyMNMDAJXULPFJOU-UHFFFAOYSA-N
MW354.44 g/mol
LogP-0.68
Rot. Bonds19

About 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol

1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol (PubChem CID 142397445) has the molecular formula C16H34O8 and a molecular weight of 354.44 g/mol. Its IUPAC name is 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol.

Molecular Properties

Compound Name1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
PubChem CID142397445
Molecular FormulaC16H34O8
Molecular Weight354.44 g/mol
Exact Mass354.23
IUPAC Name1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol
SMILESOCCOCCOCC(O)CCCCC(O)COCCOCCO
InChIInChI=1S/C16H34O8/c17-5-7-21-9-11-23-13-15(19)3-1-2-4-16(20)14-24-12-10-22-8-6-18/h15-20H,1-14H2
InChIKeyMNMDAJXULPFJOU-UHFFFAOYSA-N
XLogP-0.68
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-13-sulfanyltridecan-2-ol
CID 134163545
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
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
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
1,8-dimethanidyloxyoctane-2,7-diol;bis(1,3-dimethanidyloxypropan-2-ol);bis(1-(2-hydroxyethoxy)-3-methanidyloxypropan-2-ol);tetrakis(rutherfordium)
CID 177274110
1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylhexan-2-ol
CID 140523651
4-hydroxy-5-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]pentanal
CID 175781018
disodium;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;sulfate
CID 172848066
butanedioic acid;1-[2-(2-hydroxyethoxy)ethoxy]-13-sulfanyltridecan-2-ol
CID 87720092

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol?
The IUPAC name of 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol (CID 142397445) is 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol.
What is the SMILES notation for 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol?
The canonical SMILES for 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol is OCCOCCOCC(O)CCCCC(O)COCCOCCO.
What is the InChIKey of 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol?
The InChIKey is MNMDAJXULPFJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O8/c17-5-7-21-9-11-23-13-15(19)3-1-2-4-16(20)14-24-12-10-22-8-6-18/h15-20H,1-14H2.
What are the key properties of 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol?
1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol has a molecular weight of 354.44 g/mol, XLogP of -0.68, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[2-(2-hydroxyethoxy)ethoxy]octane-2,7-diol is sourced from PubChem (CID 142397445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).