nonyl (Z)-2-acetyloxypent-2-enoate

C16H28O4 — CID 88605646

IUPACnonyl (Z)-2-acetyloxypent-2-enoate
SMILESCC/C=C(\OC(C)=O)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-13-19-16(18)15(12-5-2)20-14(3)17/h12H,4-11,13H2,1-3H3/b15-12-
InChIKeyJXCHHGISVBWGDQ-QINSGFPZSA-N
MW284.40 g/mol
LogP4.14
Rot. Bonds11

About nonyl (Z)-2-acetyloxypent-2-enoate

nonyl (Z)-2-acetyloxypent-2-enoate (PubChem CID 88605646) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is nonyl (Z)-2-acetyloxypent-2-enoate.

Molecular Properties

Compound Namenonyl (Z)-2-acetyloxypent-2-enoate
PubChem CID88605646
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namenonyl (Z)-2-acetyloxypent-2-enoate
SMILESCC/C=C(\OC(C)=O)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-13-19-16(18)15(12-5-2)20-14(3)17/h12H,4-11,13H2,1-3H3/b15-12-
InChIKeyJXCHHGISVBWGDQ-QINSGFPZSA-N
XLogP4.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of nonyl (Z)-2-acetyloxypent-2-enoate?
The IUPAC name of nonyl (Z)-2-acetyloxypent-2-enoate (CID 88605646) is nonyl (Z)-2-acetyloxypent-2-enoate.
What is the SMILES notation for nonyl (Z)-2-acetyloxypent-2-enoate?
The canonical SMILES for nonyl (Z)-2-acetyloxypent-2-enoate is CC/C=C(\OC(C)=O)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl (Z)-2-acetyloxypent-2-enoate?
The InChIKey is JXCHHGISVBWGDQ-QINSGFPZSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-6-7-8-9-10-11-13-19-16(18)15(12-5-2)20-14(3)17/h12H,4-11,13H2,1-3H3/b15-12-.
What are the key properties of nonyl (Z)-2-acetyloxypent-2-enoate?
nonyl (Z)-2-acetyloxypent-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl (Z)-2-acetyloxypent-2-enoate is sourced from PubChem (CID 88605646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).