nonyl 5-acetyloxypent-2-enoate

C16H28O4 — CID 54396118

IUPACnonyl 5-acetyloxypent-2-enoate
SMILESCCCCCCCCCOC(=O)C=CCCOC(C)=O
InChIInChI=1S/C16H28O4/c1-3-4-5-6-7-8-10-14-20-16(18)12-9-11-13-19-15(2)17/h9,12H,3-8,10-11,13-14H2,1-2H3
InChIKeyVKBJPFYRUGILFE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.79
Rot. Bonds12

About nonyl 5-acetyloxypent-2-enoate

nonyl 5-acetyloxypent-2-enoate (PubChem CID 54396118) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is nonyl 5-acetyloxypent-2-enoate.

Molecular Properties

Compound Namenonyl 5-acetyloxypent-2-enoate
PubChem CID54396118
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namenonyl 5-acetyloxypent-2-enoate
SMILESCCCCCCCCCOC(=O)C=CCCOC(C)=O
InChIInChI=1S/C16H28O4/c1-3-4-5-6-7-8-10-14-20-16(18)12-9-11-13-19-15(2)17/h9,12H,3-8,10-11,13-14H2,1-2H3
InChIKeyVKBJPFYRUGILFE-UHFFFAOYSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
tetratriacontyl icos-2-enoate
CID 175935411
tetradecyl tetradec-2-enoate
CID 71404583
pentadecyl icos-2-enoate
CID 175935360
octadecyl 4-aminobut-2-enoate
CID 91421373
butyl icos-2-enoate
CID 91561454
1-O-heptadecyl 4-O-[(E)-hex-3-enyl] (E)-but-2-enedioate
CID 91697881
1-O-decyl 4-O-[(E)-hex-3-enyl] (E)-but-2-enedioate
CID 91697820
octadec-8-enyl acetate
CID 538134
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805

Frequently Asked Questions

What is the IUPAC name of nonyl 5-acetyloxypent-2-enoate?
The IUPAC name of nonyl 5-acetyloxypent-2-enoate (CID 54396118) is nonyl 5-acetyloxypent-2-enoate.
What is the SMILES notation for nonyl 5-acetyloxypent-2-enoate?
The canonical SMILES for nonyl 5-acetyloxypent-2-enoate is CCCCCCCCCOC(=O)C=CCCOC(C)=O.
What is the InChIKey of nonyl 5-acetyloxypent-2-enoate?
The InChIKey is VKBJPFYRUGILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-4-5-6-7-8-10-14-20-16(18)12-9-11-13-19-15(2)17/h9,12H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of nonyl 5-acetyloxypent-2-enoate?
nonyl 5-acetyloxypent-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 3.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 5-acetyloxypent-2-enoate is sourced from PubChem (CID 54396118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).