(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol

C9H16O3 — CID 12940513

IUPAC(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
SMILESCCOC1C=CC(C)C(CO)O1
InChIInChI=1S/C9H16O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-5,7-10H,3,6H2,1-2H3
InChIKeyWYBPHWLBKKGAMM-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.93
Rot. Bonds3

About (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol

(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol (PubChem CID 12940513) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol.

Molecular Properties

Compound Name(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
PubChem CID12940513
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
SMILESCCOC1C=CC(C)C(CO)O1
InChIInChI=1S/C9H16O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-5,7-10H,3,6H2,1-2H3
InChIKeyWYBPHWLBKKGAMM-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The IUPAC name of (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol (CID 12940513) is (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol.
What is the SMILES notation for (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The canonical SMILES for (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol is CCOC1C=CC(C)C(CO)O1.
What is the InChIKey of (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
The InChIKey is WYBPHWLBKKGAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-11-9-5-4-7(2)8(6-10)12-9/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol?
(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol has a molecular weight of 172.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol is sourced from PubChem (CID 12940513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).