2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol

C14H28O5 — CID 129073600

IUPAC2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol
SMILESCCCCCCC(C)OCC(O)C1OCC(O)C1O
InChIInChI=1S/C14H28O5/c1-3-4-5-6-7-10(2)18-9-12(16)14-13(17)11(15)8-19-14/h10-17H,3-9H2,1-2H3
InChIKeyMSTHOMMZSJICPM-UHFFFAOYSA-N
MW276.37 g/mol
LogP0.84
Rot. Bonds9

About 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol

2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol (PubChem CID 129073600) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol
PubChem CID129073600
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol
SMILESCCCCCCC(C)OCC(O)C1OCC(O)C1O
InChIInChI=1S/C14H28O5/c1-3-4-5-6-7-10(2)18-9-12(16)14-13(17)11(15)8-19-14/h10-17H,3-9H2,1-2H3
InChIKeyMSTHOMMZSJICPM-UHFFFAOYSA-N
XLogP0.84
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R)-2-docosan-2-yloxane-3,4,5-triol
CID 70482325
(3R,4S,5R)-2-hexadecan-2-yloxane-3,4,5-triol
CID 70482565
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;propane-1,2-diol
CID 174945724
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
azanylidynealumane;[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
CID 174874295
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;ethane-1,2-diol
CID 66872055
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;hexadecan-1-ol
CID 67603814
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 16-methylheptadecanoate
CID 91886584
(2R,3R,4S,5R)-2-(3,7,11-trimethylhexadecoxy)oxane-3,4,5-triol
CID 102453424
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
CID 89464079
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate
CID 10129826
(2S,3R,4S,5R)-2-nonadecan-3-yloxane-3,4,5-triol
CID 70483177

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol?
The IUPAC name of 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol (CID 129073600) is 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol is CCCCCCC(C)OCC(O)C1OCC(O)C1O.
What is the InChIKey of 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol?
The InChIKey is MSTHOMMZSJICPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-3-4-5-6-7-10(2)18-9-12(16)14-13(17)11(15)8-19-14/h10-17H,3-9H2,1-2H3.
What are the key properties of 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol?
2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol has a molecular weight of 276.37 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 129073600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).