(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran

C11H16O — CID 90365456

IUPAC(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran
SMILESCC#C[C@@H]1C=C[C@H](C)[C@@H](CC)O1
InChIInChI=1S/C11H16O/c1-4-6-10-8-7-9(3)11(5-2)12-10/h7-11H,5H2,1-3H3/t9-,10+,11+/m0/s1
InChIKeyDZUKQYAKOALRJX-HBNTYKKESA-N
MW164.25 g/mol
LogP2.38
Rot. Bonds1

About (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran

(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran (PubChem CID 90365456) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran
PubChem CID90365456
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran
SMILESCC#C[C@@H]1C=C[C@H](C)[C@@H](CC)O1
InChIInChI=1S/C11H16O/c1-4-6-10-8-7-9(3)11(5-2)12-10/h7-11H,5H2,1-3H3/t9-,10+,11+/m0/s1
InChIKeyDZUKQYAKOALRJX-HBNTYKKESA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran (CID 90365456) is (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran is CC#C[C@@H]1C=C[C@H](C)[C@@H](CC)O1.
What is the InChIKey of (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran?
The InChIKey is DZUKQYAKOALRJX-HBNTYKKESA-N. The full InChI is InChI=1S/C11H16O/c1-4-6-10-8-7-9(3)11(5-2)12-10/h7-11H,5H2,1-3H3/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran?
(2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran has a molecular weight of 164.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-ethyl-3-methyl-6-prop-1-ynyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 90365456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).