1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane

C15H26F2O — CID 118527047

IUPAC1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane
SMILESCCOCC1(CC/C=C/C(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H26F2O/c1-5-18-12-14(10-11-14)8-6-7-9-15(16,17)13(2,3)4/h7,9H,5-6,8,10-12H2,1-4H3/b9-7+
InChIKeyHSGGZNHEXGAXST-VQHVLOKHSA-N
MW260.37 g/mol
LogP4.82
Rot. Bonds7

About 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane

1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane (PubChem CID 118527047) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane
PubChem CID118527047
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane
SMILESCCOCC1(CC/C=C/C(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H26F2O/c1-5-18-12-14(10-11-14)8-6-7-9-15(16,17)13(2,3)4/h7,9H,5-6,8,10-12H2,1-4H3/b9-7+
InChIKeyHSGGZNHEXGAXST-VQHVLOKHSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane?
The IUPAC name of 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane (CID 118527047) is 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane.
What is the SMILES notation for 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane?
The canonical SMILES for 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane is CCOCC1(CC/C=C/C(F)(F)C(C)(C)C)CC1.
What is the InChIKey of 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane?
The InChIKey is HSGGZNHEXGAXST-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H26F2O/c1-5-18-12-14(10-11-14)8-6-7-9-15(16,17)13(2,3)4/h7,9H,5-6,8,10-12H2,1-4H3/b9-7+.
What are the key properties of 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane?
1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane has a molecular weight of 260.37 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5,5-difluoro-6,6-dimethylhept-3-enyl]-1-(ethoxymethyl)cyclopropane is sourced from PubChem (CID 118527047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).