1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol

C16H34O6 — CID 88896545

IUPAC1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol
SMILESOCCCCCC(O)OCCC(CCCCCO)OCCO
InChIInChI=1S/C16H34O6/c17-10-5-1-3-7-15(21-14-12-19)9-13-22-16(20)8-4-2-6-11-18/h15-20H,1-14H2
InChIKeyWCMVCXZSFNRHOV-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.19
Rot. Bonds17

About 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol

1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol (PubChem CID 88896545) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol.

Molecular Properties

Compound Name1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol
PubChem CID88896545
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol
SMILESOCCCCCC(O)OCCC(CCCCCO)OCCO
InChIInChI=1S/C16H34O6/c17-10-5-1-3-7-15(21-14-12-19)9-13-22-16(20)8-4-2-6-11-18/h15-20H,1-14H2
InChIKeyWCMVCXZSFNRHOV-UHFFFAOYSA-N
XLogP1.19
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethoxy)decane-1,10-diol
CID 174299376
1-(2-hydroxyethoxy)butane-1,4-diol
CID 57013926
1-butoxyoctane-1,8-diol
CID 87774765
2-docosan-10-yloxyethanol
CID 173141834
12-butoxyoctadecan-1-ol
CID 139752074
5-docosan-5-yloxypentan-1-ol
CID 139884775
1-icosoxybutane-1,4-diol
CID 175387447
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol
CID 88949718
3-ethoxyheptane-1,7-diol
CID 57097049
heptacosane-1,10,27-triol
CID 56980866

Frequently Asked Questions

What is the IUPAC name of 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol?
The IUPAC name of 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol (CID 88896545) is 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol.
What is the SMILES notation for 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol?
The canonical SMILES for 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol is OCCCCCC(O)OCCC(CCCCCO)OCCO.
What is the InChIKey of 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol?
The InChIKey is WCMVCXZSFNRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6/c17-10-5-1-3-7-15(21-14-12-19)9-13-22-16(20)8-4-2-6-11-18/h15-20H,1-14H2.
What are the key properties of 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol?
1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol has a molecular weight of 322.44 g/mol, XLogP of 1.19, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol is sourced from PubChem (CID 88896545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).