6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol

C11H22O5 — CID 91600064

IUPAC6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
SMILESCCCCCOC1OC(CO)CC(O)C1O
InChIInChI=1S/C11H22O5/c1-2-3-4-5-15-11-10(14)9(13)6-8(7-12)16-11/h8-14H,2-7H2,1H3
InChIKeyVMJVZECOKLUNDP-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.02
Rot. Bonds6

About 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol

6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol (PubChem CID 91600064) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
PubChem CID91600064
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol
SMILESCCCCCOC1OC(CO)CC(O)C1O
InChIInChI=1S/C11H22O5/c1-2-3-4-5-15-11-10(14)9(13)6-8(7-12)16-11/h8-14H,2-7H2,1H3
InChIKeyVMJVZECOKLUNDP-UHFFFAOYSA-N
XLogP0.02
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.02
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

7-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one
CID 177248438
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874
(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,5S)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 145097816
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(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

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol?
The IUPAC name of 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol (CID 91600064) is 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol is CCCCCOC1OC(CO)CC(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol?
The InChIKey is VMJVZECOKLUNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-2-3-4-5-15-11-10(14)9(13)6-8(7-12)16-11/h8-14H,2-7H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol?
6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol has a molecular weight of 234.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-pentoxyoxane-3,4-diol is sourced from PubChem (CID 91600064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).