2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol

C15H30O5 — CID 77183328

IUPAC2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCOC1OC(CO)C(O)C1O
InChIInChI=1S/C15H30O5/c1-2-3-4-5-6-7-8-9-10-19-15-14(18)13(17)12(11-16)20-15/h12-18H,2-11H2,1H3
InChIKeyKHZHOQZCUGIALW-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.58
Rot. Bonds11

About 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol

2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 77183328) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID77183328
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCOC1OC(CO)C(O)C1O
InChIInChI=1S/C15H30O5/c1-2-3-4-5-6-7-8-9-10-19-15-14(18)13(17)12(11-16)20-15/h12-18H,2-11H2,1H3
InChIKeyKHZHOQZCUGIALW-UHFFFAOYSA-N
XLogP1.58
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.58
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

(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
CID 67410580
(3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22879297
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 54350959
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 67412174
(3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 12986433
(2R,3R,4S,5S,6R)-2-heptadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 98052270
(2R,3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67411650
(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 101009516
(3S,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 126757882
(3S,5S,6R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 121392259
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pentadecoxyoxane-3,4,5-triol
CID 68555640

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 77183328) is 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol is CCCCCCCCCCOC1OC(CO)C(O)C1O.
What is the InChIKey of 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is KHZHOQZCUGIALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-2-3-4-5-6-7-8-9-10-19-15-14(18)13(17)12(11-16)20-15/h12-18H,2-11H2,1H3.
What are the key properties of 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol?
2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 290.40 g/mol, XLogP of 1.58, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 77183328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).