5-(2-propylphenyl)penta-2,4-dienal

C14H16O — CID 175798956

IUPAC5-(2-propylphenyl)penta-2,4-dienal
SMILESCCCc1ccccc1C=CC=CC=O
InChIInChI=1S/C14H16O/c1-2-8-13-10-5-6-11-14(13)9-4-3-7-12-15/h3-7,9-12H,2,8H2,1H3
InChIKeyIYRJPLFBLCYUBD-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.41
Rot. Bonds5

About 5-(2-propylphenyl)penta-2,4-dienal

5-(2-propylphenyl)penta-2,4-dienal (PubChem CID 175798956) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(2-propylphenyl)penta-2,4-dienal.

Molecular Properties

Compound Name5-(2-propylphenyl)penta-2,4-dienal
PubChem CID175798956
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name5-(2-propylphenyl)penta-2,4-dienal
SMILESCCCc1ccccc1C=CC=CC=O
InChIInChI=1S/C14H16O/c1-2-8-13-10-5-6-11-14(13)9-4-3-7-12-15/h3-7,9-12H,2,8H2,1H3
InChIKeyIYRJPLFBLCYUBD-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
1-[(1E)-buta-1,3-dienyl]-2-propylbenzene
CID 173472547
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
CID 15067574
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
CID 174271476
(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enal
CID 173321870
(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal
CID 53387064
2-[2-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 54059899
2-butylbenzaldehyde;1-butyl-2-methylbenzene
CID 88505905
ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
CID 142405628

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylphenyl)penta-2,4-dienal?
The IUPAC name of 5-(2-propylphenyl)penta-2,4-dienal (CID 175798956) is 5-(2-propylphenyl)penta-2,4-dienal.
What is the SMILES notation for 5-(2-propylphenyl)penta-2,4-dienal?
The canonical SMILES for 5-(2-propylphenyl)penta-2,4-dienal is CCCc1ccccc1C=CC=CC=O.
What is the InChIKey of 5-(2-propylphenyl)penta-2,4-dienal?
The InChIKey is IYRJPLFBLCYUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-8-13-10-5-6-11-14(13)9-4-3-7-12-15/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 5-(2-propylphenyl)penta-2,4-dienal?
5-(2-propylphenyl)penta-2,4-dienal has a molecular weight of 200.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylphenyl)penta-2,4-dienal is sourced from PubChem (CID 175798956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).