tridecyl 2-methylprop-2-enoate

C17H32O2 — CID 17234

IUPACtridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3
InChIKeyKEROTHRUZYBWCY-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds13

About tridecyl 2-methylprop-2-enoate

tridecyl 2-methylprop-2-enoate (PubChem CID 17234) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is tridecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametridecyl 2-methylprop-2-enoate
PubChem CID17234
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Nametridecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCC
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3
InChIKeyKEROTHRUZYBWCY-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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 tridecyl 2-methylprop-2-enoate?
The IUPAC name of tridecyl 2-methylprop-2-enoate (CID 17234) is tridecyl 2-methylprop-2-enoate.
What is the SMILES notation for tridecyl 2-methylprop-2-enoate?
The canonical SMILES for tridecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCC.
What is the InChIKey of tridecyl 2-methylprop-2-enoate?
The InChIKey is KEROTHRUZYBWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3.
What are the key properties of tridecyl 2-methylprop-2-enoate?
tridecyl 2-methylprop-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2-methylprop-2-enoate is sourced from PubChem (CID 17234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).