dodecyl 4-fluoro-2-methyldec-2-enoate

C23H43FO2 — CID 175013172

IUPACdodecyl 4-fluoro-2-methyldec-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=CC(F)CCCCCC
InChIInChI=1S/C23H43FO2/c1-4-6-8-10-11-12-13-14-15-17-19-26-23(25)21(3)20-22(24)18-16-9-7-5-2/h20,22H,4-19H2,1-3H3
InChIKeyMUYIOLNLJZWOCN-UHFFFAOYSA-N
MW370.59 g/mol
LogP7.71
Rot. Bonds18

About dodecyl 4-fluoro-2-methyldec-2-enoate

dodecyl 4-fluoro-2-methyldec-2-enoate (PubChem CID 175013172) has the molecular formula C23H43FO2 and a molecular weight of 370.59 g/mol. Its IUPAC name is dodecyl 4-fluoro-2-methyldec-2-enoate.

Molecular Properties

Compound Namedodecyl 4-fluoro-2-methyldec-2-enoate
PubChem CID175013172
Molecular FormulaC23H43FO2
Molecular Weight370.59 g/mol
Exact Mass370.32
IUPAC Namedodecyl 4-fluoro-2-methyldec-2-enoate
SMILESCCCCCCCCCCCCOC(=O)C(C)=CC(F)CCCCCC
InChIInChI=1S/C23H43FO2/c1-4-6-8-10-11-12-13-14-15-17-19-26-23(25)21(3)20-22(24)18-16-9-7-5-2/h20,22H,4-19H2,1-3H3
InChIKeyMUYIOLNLJZWOCN-UHFFFAOYSA-N
XLogP7.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 57.71
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 dodecyl 4-fluoro-2-methyldec-2-enoate?
The IUPAC name of dodecyl 4-fluoro-2-methyldec-2-enoate (CID 175013172) is dodecyl 4-fluoro-2-methyldec-2-enoate.
What is the SMILES notation for dodecyl 4-fluoro-2-methyldec-2-enoate?
The canonical SMILES for dodecyl 4-fluoro-2-methyldec-2-enoate is CCCCCCCCCCCCOC(=O)C(C)=CC(F)CCCCCC.
What is the InChIKey of dodecyl 4-fluoro-2-methyldec-2-enoate?
The InChIKey is MUYIOLNLJZWOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FO2/c1-4-6-8-10-11-12-13-14-15-17-19-26-23(25)21(3)20-22(24)18-16-9-7-5-2/h20,22H,4-19H2,1-3H3.
What are the key properties of dodecyl 4-fluoro-2-methyldec-2-enoate?
dodecyl 4-fluoro-2-methyldec-2-enoate has a molecular weight of 370.59 g/mol, XLogP of 7.71, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 4-fluoro-2-methyldec-2-enoate is sourced from PubChem (CID 175013172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).