2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol

C9H14O3 — CID 85247166

IUPAC2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC=CCOC1C=CC(O)C(C)O1
InChIInChI=1S/C9H14O3/c1-3-6-11-9-5-4-8(10)7(2)12-9/h3-5,7-10H,1,6H2,2H3
InChIKeyKINSZGJFBIHORT-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol

2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 85247166) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID85247166
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC=CCOC1C=CC(O)C(C)O1
InChIInChI=1S/C9H14O3/c1-3-6-11-9-5-4-8(10)7(2)12-9/h3-5,7-10H,1,6H2,2H3
InChIKeyKINSZGJFBIHORT-UHFFFAOYSA-N
XLogP0.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol
CID 131180664
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol (CID 85247166) is 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol is C=CCOC1C=CC(O)C(C)O1.
What is the InChIKey of 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is KINSZGJFBIHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-6-11-9-5-4-8(10)7(2)12-9/h3-5,7-10H,1,6H2,2H3.
What are the key properties of 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 170.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 85247166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).