[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate

C23H34O2 — CID 58975815

IUPAC[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
SMILESCCCCCCCCCCCC/C=C\OC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-25-23(24)20-19-22-17-14-13-15-18-22/h13-21H,2-12H2,1H3/b20-19?,21-16-
InChIKeyBEBUGXGEFVZBGD-HNOHEPRBSA-N
MW342.52 g/mol
LogP7.07
Rot. Bonds14

About [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate

[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate (PubChem CID 58975815) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
PubChem CID58975815
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate
SMILESCCCCCCCCCCCC/C=C\OC(=O)C=Cc1ccccc1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-25-23(24)20-19-22-17-14-13-15-18-22/h13-21H,2-12H2,1H3/b20-19?,21-16-
InChIKeyBEBUGXGEFVZBGD-HNOHEPRBSA-N
XLogP7.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

octadec-1-enyl icos-2-enoate
CID 53437848
icos-1-enyl docos-2-enoate
CID 54494040
[(Z)-oct-1-enyl] (E)-but-2-enoate
CID 101221127
[(E)-octadec-1-enyl]benzene
CID 22722345
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
octyl 3-phenylprop-2-eneperoxoate
CID 175284164
oct-1-enylbenzene;phosphoric acid
CID 159316508
tributylstannyl (E)-3-phenylprop-2-enoate
CID 16687405
dec-2-enoyl dec-2-enoate;styrene
CID 175333901
phenyl docos-2-enoate
CID 54459055
phenyl (E)-triacont-2-enoate
CID 23321595
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945

Frequently Asked Questions

What is the IUPAC name of [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate?
The IUPAC name of [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate (CID 58975815) is [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate.
What is the SMILES notation for [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate?
The canonical SMILES for [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate is CCCCCCCCCCCC/C=C\OC(=O)C=Cc1ccccc1.
What is the InChIKey of [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate?
The InChIKey is BEBUGXGEFVZBGD-HNOHEPRBSA-N. The full InChI is InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-25-23(24)20-19-22-17-14-13-15-18-22/h13-21H,2-12H2,1H3/b20-19?,21-16-.
What are the key properties of [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate?
[(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate has a molecular weight of 342.52 g/mol, XLogP of 7.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-1-enyl] 3-phenylprop-2-enoate is sourced from PubChem (CID 58975815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).