5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde

C8H9IO2 — CID 89306007

IUPAC5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESO=CC1CC=C(C=CI)CO1
InChIInChI=1S/C8H9IO2/c9-4-3-7-1-2-8(5-10)11-6-7/h1,3-5,8H,2,6H2
InChIKeyWRPGJWHGXLNUOX-UHFFFAOYSA-N
MW264.06 g/mol
LogP1.85
Rot. Bonds2

About 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde

5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde (PubChem CID 89306007) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde
PubChem CID89306007
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde
SMILESO=CC1CC=C(C=CI)CO1
InChIInChI=1S/C8H9IO2/c9-4-3-7-1-2-8(5-10)11-6-7/h1,3-5,8H,2,6H2
InChIKeyWRPGJWHGXLNUOX-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexa-2,4-dien-1-yloxyacetaldehyde
CID 53794257
2,5-dimethyl-3,6-dihydro-2H-pyran-6-carbaldehyde
CID 88528804
2-(4-Methoxycyclohexa-1,5-dien-1-yl)acetaldehyde
CID 89324384
1-(Cyclohexa-1,5-dien-1-ylmethoxy)-3-iodopropan-2-one
CID 89330649
2-(4-Ethoxycyclohexa-1,5-dien-1-yl)acetaldehyde
CID 117943256
2-(3-Methylhexa-3,5-dien-2-yloxy)butanal
CID 123755669
(3E,4Z)-3-ethylidene-2-methoxyhepta-4,6-dienal
CID 131969420
2-(Cyclohexa-1,5-dien-1-ylmethoxy)acetaldehyde
CID 149106800
2,3-Dihydrocyclohepta[b]pyran-2-carbaldehyde
CID 175101217
(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 45083810
6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 75089034

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The IUPAC name of 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde (CID 89306007) is 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde.
What is the SMILES notation for 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The canonical SMILES for 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde is O=CC1CC=C(C=CI)CO1.
What is the InChIKey of 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde?
The InChIKey is WRPGJWHGXLNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c9-4-3-7-1-2-8(5-10)11-6-7/h1,3-5,8H,2,6H2.
What are the key properties of 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde?
5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde has a molecular weight of 264.06 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethenyl)-3,6-dihydro-2H-pyran-2-carbaldehyde is sourced from PubChem (CID 89306007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).