2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran

C11H20O3 — CID 53423888

IUPAC2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran
SMILESCCOC1C=CC(C)(C)C(OCC)O1
InChIInChI=1S/C11H20O3/c1-5-12-9-7-8-11(3,4)10(14-9)13-6-2/h7-10H,5-6H2,1-4H3
InChIKeyYIHDVHOKLASBJL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.32
Rot. Bonds4

About 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran

2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran (PubChem CID 53423888) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran.

Molecular Properties

Compound Name2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran
PubChem CID53423888
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran
SMILESCCOC1C=CC(C)(C)C(OCC)O1
InChIInChI=1S/C11H20O3/c1-5-12-9-7-8-11(3,4)10(14-9)13-6-2/h7-10H,5-6H2,1-4H3
InChIKeyYIHDVHOKLASBJL-UHFFFAOYSA-N
XLogP2.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
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 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran?
The IUPAC name of 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran (CID 53423888) is 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran.
What is the SMILES notation for 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran?
The canonical SMILES for 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran is CCOC1C=CC(C)(C)C(OCC)O1.
What is the InChIKey of 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran?
The InChIKey is YIHDVHOKLASBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-12-9-7-8-11(3,4)10(14-9)13-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran?
2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran has a molecular weight of 200.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxy-3,3-dimethyl-2,6-dihydropyran is sourced from PubChem (CID 53423888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).