(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran

C11H20O3 — CID 10442781

IUPAC(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran
SMILESCCCCO[C@@H]1C[C@H](OC)C=C(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-6-13-11-8-10(12-3)7-9(2)14-11/h7,10-11H,4-6,8H2,1-3H3/t10-,11+/m1/s1
InChIKeyQZMYBDYXNCPUBD-MNOVXSKESA-N
MW200.28 g/mol
LogP2.47
Rot. Bonds5

About (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran

(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran (PubChem CID 10442781) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran
PubChem CID10442781
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran
SMILESCCCCO[C@@H]1C[C@H](OC)C=C(C)O1
InChIInChI=1S/C11H20O3/c1-4-5-6-13-11-8-10(12-3)7-9(2)14-11/h7,10-11H,4-6,8H2,1-3H3/t10-,11+/m1/s1
InChIKeyQZMYBDYXNCPUBD-MNOVXSKESA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran (CID 10442781) is (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran is CCCCO[C@@H]1C[C@H](OC)C=C(C)O1.
What is the InChIKey of (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran?
The InChIKey is QZMYBDYXNCPUBD-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20O3/c1-4-5-6-13-11-8-10(12-3)7-9(2)14-11/h7,10-11H,4-6,8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran?
(2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran has a molecular weight of 200.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-butoxy-4-methoxy-6-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10442781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).