(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol

C11H20O3 — CID 70929062

IUPAC(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol
SMILESCCCCOC1C=COC(CO)C1C
InChIInChI=1S/C11H20O3/c1-3-4-6-13-10-5-7-14-11(8-12)9(10)2/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyGBMCUMIXXPSIFJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.71
Rot. Bonds5

About (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol

(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol (PubChem CID 70929062) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol.

Molecular Properties

Compound Name(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol
PubChem CID70929062
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol
SMILESCCCCOC1C=COC(CO)C1C
InChIInChI=1S/C11H20O3/c1-3-4-6-13-10-5-7-14-11(8-12)9(10)2/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyGBMCUMIXXPSIFJ-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol?
The IUPAC name of (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol (CID 70929062) is (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol.
What is the SMILES notation for (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol?
The canonical SMILES for (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol is CCCCOC1C=COC(CO)C1C.
What is the InChIKey of (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol?
The InChIKey is GBMCUMIXXPSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-6-13-10-5-7-14-11(8-12)9(10)2/h5,7,9-12H,3-4,6,8H2,1-2H3.
What are the key properties of (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol?
(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol is sourced from PubChem (CID 70929062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).