(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran

C10H15IO2 — CID 134953870

IUPAC(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCC[C@H]1C=C[C@H](OC)O[C@H]1/C=C/I
InChIInChI=1S/C10H15IO2/c1-3-8-4-5-10(12-2)13-9(8)6-7-11/h4-10H,3H2,1-2H3/b7-6+/t8-,9-,10+/m0/s1
InChIKeyCKAWQHVVADQHSH-PUAHGDKPSA-N
MW294.13 g/mol
LogP2.89
Rot. Bonds3

About (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran

(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran (PubChem CID 134953870) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran
PubChem CID134953870
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran
SMILESCC[C@H]1C=C[C@H](OC)O[C@H]1/C=C/I
InChIInChI=1S/C10H15IO2/c1-3-8-4-5-10(12-2)13-9(8)6-7-11/h4-10H,3H2,1-2H3/b7-6+/t8-,9-,10+/m0/s1
InChIKeyCKAWQHVVADQHSH-PUAHGDKPSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran (CID 134953870) is (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran is CC[C@H]1C=C[C@H](OC)O[C@H]1/C=C/I.
What is the InChIKey of (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran?
The InChIKey is CKAWQHVVADQHSH-PUAHGDKPSA-N. The full InChI is InChI=1S/C10H15IO2/c1-3-8-4-5-10(12-2)13-9(8)6-7-11/h4-10H,3H2,1-2H3/b7-6+/t8-,9-,10+/m0/s1.
What are the key properties of (2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran?
(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran has a molecular weight of 294.13 g/mol, XLogP of 2.89, 3 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-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134953870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).