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

C11H22O4 — CID 91192531

IUPAC2-(hydroxymethyl)-6-pentyloxane-3,4-diol
SMILESCCCCCC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H22O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h8-14H,2-7H2,1H3
InChIKeyAFPVTSFVQGZKAL-UHFFFAOYSA-N
MW218.29 g/mol
LogP0.44
Rot. Bonds5

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

2-(hydroxymethyl)-6-pentyloxane-3,4-diol (PubChem CID 91192531) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-pentyloxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-pentyloxane-3,4-diol
PubChem CID91192531
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(hydroxymethyl)-6-pentyloxane-3,4-diol
SMILESCCCCCC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C11H22O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h8-14H,2-7H2,1H3
InChIKeyAFPVTSFVQGZKAL-UHFFFAOYSA-N
XLogP0.44
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-hydroxyethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 123931534
2-(hydroxymethyl)-3-pentan-3-yloxy-6-pentyloxan-4-ol
CID 123662386
ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
2-(5-butyl-2-hydroxy-4-pentylcyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70658840
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
2-heptadecyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73150554
(3R,4R)-2-(hydroxymethyl)-6-tridecyloxane-3,4,5-triol
CID 158921249
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octyloxane-3,4,5-triol
CID 91217926
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
2-[(2S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N,N-diethylacetamide
CID 142342560
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-pentyloxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-pentyloxane-3,4-diol (CID 91192531) is 2-(hydroxymethyl)-6-pentyloxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-pentyloxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-pentyloxane-3,4-diol is CCCCCC1CC(O)C(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-pentyloxane-3,4-diol?
The InChIKey is AFPVTSFVQGZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-2-3-4-5-8-6-9(13)11(14)10(7-12)15-8/h8-14H,2-7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-pentyloxane-3,4-diol?
2-(hydroxymethyl)-6-pentyloxane-3,4-diol has a molecular weight of 218.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-pentyloxane-3,4-diol is sourced from PubChem (CID 91192531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).