(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene

C10H19FO — CID 159682763

IUPAC(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene
SMILESC=CC[C@@H](C)C(C)(F)C(C)OC
InChIInChI=1S/C10H19FO/c1-6-7-8(2)10(4,11)9(3)12-5/h6,8-9H,1,7H2,2-5H3/t8-,9?,10?/m1/s1
InChIKeyMVKHFKXLWPJERB-XNWIYYODSA-N
MW174.26 g/mol
LogP2.96
Rot. Bonds5

About (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene

(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene (PubChem CID 159682763) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene.

Molecular Properties

Compound Name(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene
PubChem CID159682763
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene
SMILESC=CC[C@@H](C)C(C)(F)C(C)OC
InChIInChI=1S/C10H19FO/c1-6-7-8(2)10(4,11)9(3)12-5/h6,8-9H,1,7H2,2-5H3/t8-,9?,10?/m1/s1
InChIKeyMVKHFKXLWPJERB-XNWIYYODSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-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 (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene?
The IUPAC name of (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene (CID 159682763) is (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene.
What is the SMILES notation for (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene?
The canonical SMILES for (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene is C=CC[C@@H](C)C(C)(F)C(C)OC.
What is the InChIKey of (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene?
The InChIKey is MVKHFKXLWPJERB-XNWIYYODSA-N. The full InChI is InChI=1S/C10H19FO/c1-6-7-8(2)10(4,11)9(3)12-5/h6,8-9H,1,7H2,2-5H3/t8-,9?,10?/m1/s1.
What are the key properties of (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene?
(4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene has a molecular weight of 174.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-fluoro-6-methoxy-4,5-dimethylhept-1-ene is sourced from PubChem (CID 159682763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).