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

C10H14O2 — CID 125475617

IUPAC(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran
SMILESC#C[C@@H]1O[C@@H](OC)C=C[C@@H]1CC
InChIInChI=1S/C10H14O2/c1-4-8-6-7-10(11-3)12-9(8)5-2/h2,6-10H,4H2,1,3H3/t8-,9-,10+/m0/s1
InChIKeyMIVMIHIDOLGMIA-LPEHRKFASA-N
MW166.22 g/mol
LogP1.57
Rot. Bonds2

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

(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran (PubChem CID 125475617) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran
PubChem CID125475617
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran
SMILESC#C[C@@H]1O[C@@H](OC)C=C[C@@H]1CC
InChIInChI=1S/C10H14O2/c1-4-8-6-7-10(11-3)12-9(8)5-2/h2,6-10H,4H2,1,3H3/t8-,9-,10+/m0/s1
InChIKeyMIVMIHIDOLGMIA-LPEHRKFASA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran (CID 125475617) is (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran is C#C[C@@H]1O[C@@H](OC)C=C[C@@H]1CC.
What is the InChIKey of (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran?
The InChIKey is MIVMIHIDOLGMIA-LPEHRKFASA-N. The full InChI is InChI=1S/C10H14O2/c1-4-8-6-7-10(11-3)12-9(8)5-2/h2,6-10H,4H2,1,3H3/t8-,9-,10+/m0/s1.
What are the key properties of (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran?
(2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran has a molecular weight of 166.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-ethyl-2-ethynyl-6-methoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 125475617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).