(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene

C13H25FO — CID 131997498

IUPAC(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene
SMILESC=CCC[C@@H](F)CC(C)COC(C)(C)C
InChIInChI=1S/C13H25FO/c1-6-7-8-12(14)9-11(2)10-15-13(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11?,12-/m1/s1
InChIKeyCREYKAWMWCYLDR-PIJUOVFKSA-N
MW216.34 g/mol
LogP4.13
Rot. Bonds7

About (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene

(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene (PubChem CID 131997498) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene.

Molecular Properties

Compound Name(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene
PubChem CID131997498
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene
SMILESC=CCC[C@@H](F)CC(C)COC(C)(C)C
InChIInChI=1S/C13H25FO/c1-6-7-8-12(14)9-11(2)10-15-13(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11?,12-/m1/s1
InChIKeyCREYKAWMWCYLDR-PIJUOVFKSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene 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 (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene?
The IUPAC name of (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene (CID 131997498) is (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene.
What is the SMILES notation for (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene?
The canonical SMILES for (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene is C=CCC[C@@H](F)CC(C)COC(C)(C)C.
What is the InChIKey of (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene?
The InChIKey is CREYKAWMWCYLDR-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H25FO/c1-6-7-8-12(14)9-11(2)10-15-13(3,4)5/h6,11-12H,1,7-10H2,2-5H3/t11?,12-/m1/s1.
What are the key properties of (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene?
(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene has a molecular weight of 216.34 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene is sourced from PubChem (CID 131997498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).