(Z)-5-(2-phenylethynyl)undec-4-enal

C19H24O — CID 11288650

IUPAC(Z)-5-(2-phenylethynyl)undec-4-enal
SMILESCCCCCC/C(C#Cc1ccccc1)=C/CCC=O
InChIInChI=1S/C19H24O/c1-2-3-4-6-11-19(14-9-10-17-20)16-15-18-12-7-5-8-13-18/h5,7-8,12-14,17H,2-4,6,9-11H2,1H3/b19-14-
InChIKeyQSSWDXQSWROIMS-RGEXLXHISA-N
MW268.40 g/mol
LogP4.91
Rot. Bonds8

About (Z)-5-(2-phenylethynyl)undec-4-enal

(Z)-5-(2-phenylethynyl)undec-4-enal (PubChem CID 11288650) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (Z)-5-(2-phenylethynyl)undec-4-enal.

Molecular Properties

Compound Name(Z)-5-(2-phenylethynyl)undec-4-enal
PubChem CID11288650
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(Z)-5-(2-phenylethynyl)undec-4-enal
SMILESCCCCCC/C(C#Cc1ccccc1)=C/CCC=O
InChIInChI=1S/C19H24O/c1-2-3-4-6-11-19(14-9-10-17-20)16-15-18-12-7-5-8-13-18/h5,7-8,12-14,17H,2-4,6,9-11H2,1H3/b19-14-
InChIKeyQSSWDXQSWROIMS-RGEXLXHISA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.91
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
decanal;1-phenylethanone
CID 161488656
methyl (E)-2-(2-phenylethynyl)hept-2-enoate
CID 10083100
10-hydroxy-12-phenyldodec-11-ynal
CID 15445350
1-phenylheptadecan-1-one
CID 577626
tridec-1-ynylbenzene
CID 19991064
[(Z)-non-3-en-4-yl]benzene
CID 101008148
ethane;non-1-ynylbenzene
CID 143616673
S-benzyl dodecanethioate;S-benzyl tetradecanethioate
CID 161441582
butyl 3-phenylprop-2-ynoate
CID 11769566
N-butyl-3-phenylprop-2-ynamide
CID 141247412

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-phenylethynyl)undec-4-enal?
The IUPAC name of (Z)-5-(2-phenylethynyl)undec-4-enal (CID 11288650) is (Z)-5-(2-phenylethynyl)undec-4-enal.
What is the SMILES notation for (Z)-5-(2-phenylethynyl)undec-4-enal?
The canonical SMILES for (Z)-5-(2-phenylethynyl)undec-4-enal is CCCCCC/C(C#Cc1ccccc1)=C/CCC=O.
What is the InChIKey of (Z)-5-(2-phenylethynyl)undec-4-enal?
The InChIKey is QSSWDXQSWROIMS-RGEXLXHISA-N. The full InChI is InChI=1S/C19H24O/c1-2-3-4-6-11-19(14-9-10-17-20)16-15-18-12-7-5-8-13-18/h5,7-8,12-14,17H,2-4,6,9-11H2,1H3/b19-14-.
What are the key properties of (Z)-5-(2-phenylethynyl)undec-4-enal?
(Z)-5-(2-phenylethynyl)undec-4-enal has a molecular weight of 268.40 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-phenylethynyl)undec-4-enal is sourced from PubChem (CID 11288650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).