5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal

C13H15IO — CID 11493360

IUPAC5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal
SMILESO=CCCCCc1ccccc1/C=C\I
InChIInChI=1S/C13H15IO/c14-10-9-13-8-4-3-7-12(13)6-2-1-5-11-15/h3-4,7-11H,1-2,5-6H2/b10-9-
InChIKeyCYPSBWHLOQAEKC-KTKRTIGZSA-N
MW314.17 g/mol
LogP4.00
Rot. Bonds6

About 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal

5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal (PubChem CID 11493360) has the molecular formula C13H15IO and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal.

Molecular Properties

Compound Name5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal
PubChem CID11493360
Molecular FormulaC13H15IO
Molecular Weight314.17 g/mol
Exact Mass314.02
IUPAC Name5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal
SMILESO=CCCCCc1ccccc1/C=C\I
InChIInChI=1S/C13H15IO/c14-10-9-13-8-4-3-7-12(13)6-2-1-5-11-15/h3-4,7-11H,1-2,5-6H2/b10-9-
InChIKeyCYPSBWHLOQAEKC-KTKRTIGZSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 166641973
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
5-[2-fluoro-3-(hydroxymethyl)phenyl]pentanal
CID 153295499
2-(7-bromoheptyl)benzaldehyde
CID 15617526
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
(E)-6-(2-nonylphenyl)hex-5-enoic acid
CID 21273106
1-butyl-2-methylbenzene;pentanal
CID 175490673
1-octadec-9-enyl-2-(2-phenylethenyl)benzene
CID 91146060
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
3-(2-butylphenyl)propanal;propanal
CID 175603438

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal?
The IUPAC name of 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal (CID 11493360) is 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal.
What is the SMILES notation for 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal?
The canonical SMILES for 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal is O=CCCCCc1ccccc1/C=C\I.
What is the InChIKey of 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal?
The InChIKey is CYPSBWHLOQAEKC-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H15IO/c14-10-9-13-8-4-3-7-12(13)6-2-1-5-11-15/h3-4,7-11H,1-2,5-6H2/b10-9-.
What are the key properties of 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal?
5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal has a molecular weight of 314.17 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(Z)-2-iodoethenyl]phenyl]pentanal is sourced from PubChem (CID 11493360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).