(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene

C13H24F2O — CID 118527061

IUPAC(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene
SMILESCCOCC(F)(F)/C=C/CCCCC(C)C
InChIInChI=1S/C13H24F2O/c1-4-16-11-13(14,15)10-8-6-5-7-9-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3/b10-8+
InChIKeyLEOICJGXMJOEFM-CSKARUKUSA-N
MW234.33 g/mol
LogP4.43
Rot. Bonds9

About (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene

(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene (PubChem CID 118527061) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene
PubChem CID118527061
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene
SMILESCCOCC(F)(F)/C=C/CCCCC(C)C
InChIInChI=1S/C13H24F2O/c1-4-16-11-13(14,15)10-8-6-5-7-9-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3/b10-8+
InChIKeyLEOICJGXMJOEFM-CSKARUKUSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene?
The IUPAC name of (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene (CID 118527061) is (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene.
What is the SMILES notation for (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene?
The canonical SMILES for (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene is CCOCC(F)(F)/C=C/CCCCC(C)C.
What is the InChIKey of (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene?
The InChIKey is LEOICJGXMJOEFM-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24F2O/c1-4-16-11-13(14,15)10-8-6-5-7-9-12(2)3/h8,10,12H,4-7,9,11H2,1-3H3/b10-8+.
What are the key properties of (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene?
(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene has a molecular weight of 234.33 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene is sourced from PubChem (CID 118527061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).