1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene

C15H27FO — CID 54024531

IUPAC1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
SMILESCOC(C)(C)CCC(C)CC=CC(C)=CCF
InChIInChI=1S/C15H27FO/c1-13(9-11-15(3,4)17-5)7-6-8-14(2)10-12-16/h6,8,10,13H,7,9,11-12H2,1-5H3
InChIKeyLBGAXTPKCONGMD-UHFFFAOYSA-N
MW242.38 g/mol
LogP4.69
Rot. Bonds8

About 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene

1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene (PubChem CID 54024531) has the molecular formula C15H27FO and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene.

Molecular Properties

Compound Name1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
PubChem CID54024531
Molecular FormulaC15H27FO
Molecular Weight242.38 g/mol
Exact Mass242.20
IUPAC Name1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene
SMILESCOC(C)(C)CCC(C)CC=CC(C)=CCF
InChIInChI=1S/C15H27FO/c1-13(9-11-15(3,4)17-5)7-6-8-14(2)10-12-16/h6,8,10,13H,7,9,11-12H2,1-5H3
InChIKeyLBGAXTPKCONGMD-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene?
The IUPAC name of 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene (CID 54024531) is 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene.
What is the SMILES notation for 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene?
The canonical SMILES for 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene is COC(C)(C)CCC(C)CC=CC(C)=CCF.
What is the InChIKey of 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene?
The InChIKey is LBGAXTPKCONGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO/c1-13(9-11-15(3,4)17-5)7-6-8-14(2)10-12-16/h6,8,10,13H,7,9,11-12H2,1-5H3.
What are the key properties of 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene?
1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene has a molecular weight of 242.38 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-10-methoxy-3,7,10-trimethylundeca-2,4-diene is sourced from PubChem (CID 54024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).