2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol

C14H28O5 — CID 70976729

IUPAC2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol
SMILESCCCCCCCCOC(O)CC1OCC(O)C1O
InChIInChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-18-13(16)9-12-14(17)11(15)10-19-12/h11-17H,2-10H2,1H3
InChIKeyUAJODHNZMLRXJK-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.19
Rot. Bonds10

About 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol

2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol (PubChem CID 70976729) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol
PubChem CID70976729
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol
SMILESCCCCCCCCOC(O)CC1OCC(O)C1O
InChIInChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-18-13(16)9-12-14(17)11(15)10-19-12/h11-17H,2-10H2,1H3
InChIKeyUAJODHNZMLRXJK-UHFFFAOYSA-N
XLogP1.19
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
2-[2-(hexadecylamino)propyl]oxane-3,4,5-triol
CID 75150480
2-[2-(octylamino)propyl]oxane-3,4,5-triol
CID 75150516
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-undecoxybutan-1-ol
CID 139971924
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584
2-(1-hydroxy-2-octan-2-yloxyethyl)oxolane-3,4-diol
CID 129073600
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
icosoxymethanediol
CID 175975847
2-(1-tetradecoxyicosyl)oxirane
CID 88767792

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol?
The IUPAC name of 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol (CID 70976729) is 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol is CCCCCCCCOC(O)CC1OCC(O)C1O.
What is the InChIKey of 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol?
The InChIKey is UAJODHNZMLRXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-18-13(16)9-12-14(17)11(15)10-19-12/h11-17H,2-10H2,1H3.
What are the key properties of 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol?
2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol has a molecular weight of 276.37 g/mol, XLogP of 1.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-octoxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 70976729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).