6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol

C9H18O4 — CID 167208192

IUPAC6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
SMILESCC(C)C1C(O)CC(O)OC1CO
InChIInChI=1S/C9H18O4/c1-5(2)9-6(11)3-8(12)13-7(9)4-10/h5-12H,3-4H2,1-2H3
InChIKeyRUJHJQRZWLDXGO-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.28
Rot. Bonds2

About 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol

6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol (PubChem CID 167208192) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
PubChem CID167208192
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
SMILESCC(C)C1C(O)CC(O)OC1CO
InChIInChI=1S/C9H18O4/c1-5(2)9-6(11)3-8(12)13-7(9)4-10/h5-12H,3-4H2,1-2H3
InChIKeyRUJHJQRZWLDXGO-UHFFFAOYSA-N
XLogP-0.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
CID 147504742
6-(2-methylpropyl)oxane-2,4,5-triol
CID 20758150
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018788
CID 23401540
CID 23401540
(2S,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,4-diol;(2S,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;bis((2R,4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);bis((2S,4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol)
CID 161430292
4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
CID 66786456

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol?
The IUPAC name of 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol (CID 167208192) is 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol.
What is the SMILES notation for 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol?
The canonical SMILES for 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol is CC(C)C1C(O)CC(O)OC1CO.
What is the InChIKey of 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol?
The InChIKey is RUJHJQRZWLDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-5(2)9-6(11)3-8(12)13-7(9)4-10/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol?
6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol has a molecular weight of 190.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol is sourced from PubChem (CID 167208192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).