2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol

C9H16O4 — CID 546113

IUPAC2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)OC1C=CC(O)C(CO)O1
InChIInChI=1S/C9H16O4/c1-6(2)12-9-4-3-7(11)8(5-10)13-9/h3-4,6-11H,5H2,1-2H3
InChIKeyNMAGYGHDHYJFCW-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.05
Rot. Bonds3

About 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol

2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 546113) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID546113
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)OC1C=CC(O)C(CO)O1
InChIInChI=1S/C9H16O4/c1-6(2)12-9-4-3-7(11)8(5-10)13-9/h3-4,6-11H,5H2,1-2H3
InChIKeyNMAGYGHDHYJFCW-UHFFFAOYSA-N
XLogP0.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

beta-D-erythro-Hex-2-enopyranose, 1,6-anhydro-2,3-dideoxy-
CID 10942437
ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
CID 44566908
(2R,3S,6S)-6-decoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 53305121
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
(2S)-3-[(4aR,6R,8aS)-2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]propane-1,2-diol
CID 168475848
(2R,3R,4S,5S)-2-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
CID 101849416
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
(2R)-3-[(4aR,6R,8aS)-2,2-dimethyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxin-6-yl]propane-1,2-diol
CID 172445670
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol (CID 546113) is 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol is CC(C)OC1C=CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is NMAGYGHDHYJFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-6(2)12-9-4-3-7(11)8(5-10)13-9/h3-4,6-11H,5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 188.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 546113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).