(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran

C8H14O — CID 122471233

IUPAC(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1OCC=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKQUMUBUHLRNGQC-JGVFFNPUSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran

(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran (PubChem CID 122471233) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
PubChem CID122471233
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran
SMILESCC[C@H]1OCC=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyKQUMUBUHLRNGQC-JGVFFNPUSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
4-Chloro-6-(2-methylpropyl)-3,6-dihydro-2H-pyran
CID 44431629
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
2,4,6-Trimethyl-5,6-dihydropyran
CID 12381647
2-Propan-2-yl-2,5-dihydrofuran
CID 12507024
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
6-Ethyl-2,6-dimethyl-2,3-dihydropyran
CID 12507029
6-propyl-3,6-dihydro-2H-pyran
CID 12507030
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645
2,2-dimethyl-3,6-dihydro-2H-pyran
CID 12536733
3-Ethyl-3,6-dihydro-2H-pyran
CID 13166770

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran (CID 122471233) is (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran is CC[C@H]1OCC=C[C@@H]1C.
What is the InChIKey of (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran?
The InChIKey is KQUMUBUHLRNGQC-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8-7(2)5-4-6-9-8/h4-5,7-8H,3,6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran?
(2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122471233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).