nonyl (Z)-2-methylbut-2-enoate

C14H26O2 — CID 5383736

IUPACnonyl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OCCCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5-
InChIKeyNIOMGUSCYSQFTC-ACAGNQJTSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds9

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

nonyl (Z)-2-methylbut-2-enoate (PubChem CID 5383736) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is nonyl (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Namenonyl (Z)-2-methylbut-2-enoate
PubChem CID5383736
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namenonyl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OCCCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5-
InChIKeyNIOMGUSCYSQFTC-ACAGNQJTSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of nonyl (Z)-2-methylbut-2-enoate?
The IUPAC name of nonyl (Z)-2-methylbut-2-enoate (CID 5383736) is nonyl (Z)-2-methylbut-2-enoate.
What is the SMILES notation for nonyl (Z)-2-methylbut-2-enoate?
The canonical SMILES for nonyl (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl (Z)-2-methylbut-2-enoate?
The InChIKey is NIOMGUSCYSQFTC-ACAGNQJTSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5-.
What are the key properties of nonyl (Z)-2-methylbut-2-enoate?
nonyl (Z)-2-methylbut-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 5383736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).