dec-9-enyl 2-methylprop-2-enoate

C14H24O2 — CID 15311045

IUPACdec-9-enyl 2-methylprop-2-enoate
SMILESC=CCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h4H,1-2,5-12H2,3H3
InChIKeyHIHZMHHYLRANDP-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds10

About dec-9-enyl 2-methylprop-2-enoate

dec-9-enyl 2-methylprop-2-enoate (PubChem CID 15311045) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is dec-9-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedec-9-enyl 2-methylprop-2-enoate
PubChem CID15311045
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namedec-9-enyl 2-methylprop-2-enoate
SMILESC=CCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h4H,1-2,5-12H2,3H3
InChIKeyHIHZMHHYLRANDP-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dec-9-enyl 2-methylprop-2-enoate?
The IUPAC name of dec-9-enyl 2-methylprop-2-enoate (CID 15311045) is dec-9-enyl 2-methylprop-2-enoate.
What is the SMILES notation for dec-9-enyl 2-methylprop-2-enoate?
The canonical SMILES for dec-9-enyl 2-methylprop-2-enoate is C=CCCCCCCCCOC(=O)C(=C)C.
What is the InChIKey of dec-9-enyl 2-methylprop-2-enoate?
The InChIKey is HIHZMHHYLRANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h4H,1-2,5-12H2,3H3.
What are the key properties of dec-9-enyl 2-methylprop-2-enoate?
dec-9-enyl 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 15311045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).