(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

C10H15IO2 — CID 25107591

IUPAC(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/I)O1
InChIInChI=1S/C10H15IO2/c1-8(2)12-10-5-3-4-9(13-10)6-7-11/h3,5-10H,4H2,1-2H3/b7-6+/t9-,10-/m1/s1
InChIKeyBOLXKMCJKHFNOS-UHHSMLKOSA-N
MW294.13 g/mol
LogP3.03
Rot. Bonds3

About (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran

(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (PubChem CID 25107591) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
PubChem CID25107591
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/I)O1
InChIInChI=1S/C10H15IO2/c1-8(2)12-10-5-3-4-9(13-10)6-7-11/h3,5-10H,4H2,1-2H3/b7-6+/t9-,10-/m1/s1
InChIKeyBOLXKMCJKHFNOS-UHHSMLKOSA-N
XLogP3.03
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 ≤ 53.03
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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Related Compounds

6-Methoxy-3,6-dihydro-2H-pyran
CID 557737
6-ethoxy-3,6-dihydro-2H-pyran
CID 359256
(2R,3S,6R)-3-ethyl-2-[(E)-2-iodoethenyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 134953870
(E)-1-(1-butoxy-2-iodoethoxy)hex-2-ene
CID 11472833
2-Ethyl-2,5-dimethoxy-2,5-dihydrofuran
CID 12937295
6-Methoxy-5,6-dihydro-2h-pyran
CID 18541897
2-ethoxy-3,6-dihydro-2H-pyran
CID 19096536
(2R,6R)-2-ethynyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 11171172
(3S)-3-(1-ethoxy-2-iodoethoxy)cyclohexene
CID 13829799
(2S,6S)-6-ethoxy-2-(iodomethyl)-3,6-dihydro-2H-pyran
CID 13888301
2,6-Dimethoxy-5,6-dihydro-2h-pyran
CID 15635083
(2R,6R)-2-[(1E,3Z,5S)-6-iodo-3,5-dimethylhexa-1,3-dienyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 24740597

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran (CID 25107591) is (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is CC(C)O[C@H]1C=CC[C@H](/C=C/I)O1.
What is the InChIKey of (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The InChIKey is BOLXKMCJKHFNOS-UHHSMLKOSA-N. The full InChI is InChI=1S/C10H15IO2/c1-8(2)12-10-5-3-4-9(13-10)6-7-11/h3,5-10H,4H2,1-2H3/b7-6+/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
(2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran has a molecular weight of 294.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[(E)-2-iodoethenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 25107591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).