(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene

C11H20F2O — CID 118527058

IUPAC(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene
SMILESCCOCC(F)(F)/C=C/CCC(C)C
InChIInChI=1S/C11H20F2O/c1-4-14-9-11(12,13)8-6-5-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyZDPWLBKLYLWSRL-SOFGYWHQSA-N
MW206.28 g/mol
LogP3.65
Rot. Bonds7

About (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene

(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene (PubChem CID 118527058) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene
PubChem CID118527058
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene
SMILESCCOCC(F)(F)/C=C/CCC(C)C
InChIInChI=1S/C11H20F2O/c1-4-14-9-11(12,13)8-6-5-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyZDPWLBKLYLWSRL-SOFGYWHQSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-7-methyloct-3-ene?
The IUPAC name of (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene (CID 118527058) is (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene.
What is the SMILES notation for (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene?
The canonical SMILES for (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene is CCOCC(F)(F)/C=C/CCC(C)C.
What is the InChIKey of (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene?
The InChIKey is ZDPWLBKLYLWSRL-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H20F2O/c1-4-14-9-11(12,13)8-6-5-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3/b8-6+.
What are the key properties of (E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene?
(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene has a molecular weight of 206.28 g/mol, XLogP of 3.65, 7 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-7-methyloct-3-ene is sourced from PubChem (CID 118527058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).