(E)-3-(2-pentylphenyl)prop-2-enal

C14H18O — CID 22717371

IUPAC(E)-3-(2-pentylphenyl)prop-2-enal
SMILESCCCCCc1ccccc1/C=C/C=O
InChIInChI=1S/C14H18O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-12H,2-4,8H2,1H3/b11-7+
InChIKeyNJOZATCIDWVFLW-YRNVUSSQSA-N
MW202.30 g/mol
LogP3.63
Rot. Bonds6

About (E)-3-(2-pentylphenyl)prop-2-enal

(E)-3-(2-pentylphenyl)prop-2-enal (PubChem CID 22717371) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-3-(2-pentylphenyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(2-pentylphenyl)prop-2-enal
PubChem CID22717371
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(E)-3-(2-pentylphenyl)prop-2-enal
SMILESCCCCCc1ccccc1/C=C/C=O
InChIInChI=1S/C14H18O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-12H,2-4,8H2,1H3/b11-7+
InChIKeyNJOZATCIDWVFLW-YRNVUSSQSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.63
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-propylphenyl)penta-2,4-dienal
CID 175798956
(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid
CID 135262732
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
ethyl (2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoate
CID 142405628
1-ethenyl-2-pentylbenzene
CID 22171756
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
methyl 3-(2-dodecylphenyl)prop-2-enoate
CID 54457299
2-nonylphenol;oxaldehyde
CID 18943315
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-pentylphenyl)prop-2-enal?
The IUPAC name of (E)-3-(2-pentylphenyl)prop-2-enal (CID 22717371) is (E)-3-(2-pentylphenyl)prop-2-enal.
What is the SMILES notation for (E)-3-(2-pentylphenyl)prop-2-enal?
The canonical SMILES for (E)-3-(2-pentylphenyl)prop-2-enal is CCCCCc1ccccc1/C=C/C=O.
What is the InChIKey of (E)-3-(2-pentylphenyl)prop-2-enal?
The InChIKey is NJOZATCIDWVFLW-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-12H,2-4,8H2,1H3/b11-7+.
What are the key properties of (E)-3-(2-pentylphenyl)prop-2-enal?
(E)-3-(2-pentylphenyl)prop-2-enal has a molecular weight of 202.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-pentylphenyl)prop-2-enal is sourced from PubChem (CID 22717371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).