methyl 8-phenyloct-5-enoate

C15H20O2 — CID 54063432

IUPACmethyl 8-phenyloct-5-enoate
SMILESCOC(=O)CCCC=CCCc1ccccc1
InChIInChI=1S/C15H20O2/c1-17-15(16)13-9-4-2-3-6-10-14-11-7-5-8-12-14/h2-3,5,7-8,11-12H,4,6,9-10,13H2,1H3
InChIKeyMBIDEUCNOFLFPC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds7

About methyl 8-phenyloct-5-enoate

methyl 8-phenyloct-5-enoate (PubChem CID 54063432) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 8-phenyloct-5-enoate.

Molecular Properties

Compound Namemethyl 8-phenyloct-5-enoate
PubChem CID54063432
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 8-phenyloct-5-enoate
SMILESCOC(=O)CCCC=CCCc1ccccc1
InChIInChI=1S/C15H20O2/c1-17-15(16)13-9-4-2-3-6-10-14-11-7-5-8-12-14/h2-3,5,7-8,11-12H,4,6,9-10,13H2,1H3
InChIKeyMBIDEUCNOFLFPC-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 8-oxo-8-(2-phenylethylamino)octanoate
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(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
methyl (Z)-octadec-9-enoate;phenol
CID 67859518
methyl (Z)-7-[(1R,2R,3R,5S)-3-amino-5-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 90434779
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
methyl 3-oxo-6-phenylhexanoate
CID 12701554
methyl dec-5-enoate
CID 54534253
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl undeca-5,9-dienoate
CID 57288687

Frequently Asked Questions

What is the IUPAC name of methyl 8-phenyloct-5-enoate?
The IUPAC name of methyl 8-phenyloct-5-enoate (CID 54063432) is methyl 8-phenyloct-5-enoate.
What is the SMILES notation for methyl 8-phenyloct-5-enoate?
The canonical SMILES for methyl 8-phenyloct-5-enoate is COC(=O)CCCC=CCCc1ccccc1.
What is the InChIKey of methyl 8-phenyloct-5-enoate?
The InChIKey is MBIDEUCNOFLFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-15(16)13-9-4-2-3-6-10-14-11-7-5-8-12-14/h2-3,5,7-8,11-12H,4,6,9-10,13H2,1H3.
What are the key properties of methyl 8-phenyloct-5-enoate?
methyl 8-phenyloct-5-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-phenyloct-5-enoate is sourced from PubChem (CID 54063432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).