phenyl (Z)-5-butoxypent-4-enoate

C15H20O3 — CID 58460847

IUPACphenyl (Z)-5-butoxypent-4-enoate
SMILESCCCCO/C=C\CCC(=O)Oc1ccccc1
InChIInChI=1S/C15H20O3/c1-2-3-12-17-13-8-7-11-15(16)18-14-9-5-4-6-10-14/h4-6,8-10,13H,2-3,7,11-12H2,1H3/b13-8-
InChIKeyXNAMXJQHJGHOHQ-JYRVWZFOSA-N
MW248.32 g/mol
LogP3.70
Rot. Bonds8

About phenyl (Z)-5-butoxypent-4-enoate

phenyl (Z)-5-butoxypent-4-enoate (PubChem CID 58460847) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is phenyl (Z)-5-butoxypent-4-enoate.

Molecular Properties

Compound Namephenyl (Z)-5-butoxypent-4-enoate
PubChem CID58460847
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namephenyl (Z)-5-butoxypent-4-enoate
SMILESCCCCO/C=C\CCC(=O)Oc1ccccc1
InChIInChI=1S/C15H20O3/c1-2-3-12-17-13-8-7-11-15(16)18-14-9-5-4-6-10-14/h4-6,8-10,13H,2-3,7,11-12H2,1H3/b13-8-
InChIKeyXNAMXJQHJGHOHQ-JYRVWZFOSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 3-butoxyprop-2-enoate
CID 67200074
phenyl 5-butoxypentanoate
CID 174713962
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
phenyl butanoate
CID 20354
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905

Frequently Asked Questions

What is the IUPAC name of phenyl (Z)-5-butoxypent-4-enoate?
The IUPAC name of phenyl (Z)-5-butoxypent-4-enoate (CID 58460847) is phenyl (Z)-5-butoxypent-4-enoate.
What is the SMILES notation for phenyl (Z)-5-butoxypent-4-enoate?
The canonical SMILES for phenyl (Z)-5-butoxypent-4-enoate is CCCCO/C=C\CCC(=O)Oc1ccccc1.
What is the InChIKey of phenyl (Z)-5-butoxypent-4-enoate?
The InChIKey is XNAMXJQHJGHOHQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-3-12-17-13-8-7-11-15(16)18-14-9-5-4-6-10-14/h4-6,8-10,13H,2-3,7,11-12H2,1H3/b13-8-.
What are the key properties of phenyl (Z)-5-butoxypent-4-enoate?
phenyl (Z)-5-butoxypent-4-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (Z)-5-butoxypent-4-enoate is sourced from PubChem (CID 58460847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).