4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane

C15H27FO2 — CID 123384982

IUPAC4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane
SMILESC=C(C)C(CC(C)CCF)C1OC(C)OCC1C
InChIInChI=1S/C15H27FO2/c1-10(2)14(8-11(3)6-7-16)15-12(4)9-17-13(5)18-15/h11-15H,1,6-9H2,2-5H3
InChIKeyZZMAKOZFLJNEAE-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.96
Rot. Bonds6

About 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane

4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane (PubChem CID 123384982) has the molecular formula C15H27FO2 and a molecular weight of 258.38 g/mol. Its IUPAC name is 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane
PubChem CID123384982
Molecular FormulaC15H27FO2
Molecular Weight258.38 g/mol
Exact Mass258.20
IUPAC Name4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane
SMILESC=C(C)C(CC(C)CCF)C1OC(C)OCC1C
InChIInChI=1S/C15H27FO2/c1-10(2)14(8-11(3)6-7-16)15-12(4)9-17-13(5)18-15/h11-15H,1,6-9H2,2-5H3
InChIKeyZZMAKOZFLJNEAE-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane (CID 123384982) is 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane is C=C(C)C(CC(C)CCF)C1OC(C)OCC1C.
What is the InChIKey of 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is ZZMAKOZFLJNEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO2/c1-10(2)14(8-11(3)6-7-16)15-12(4)9-17-13(5)18-15/h11-15H,1,6-9H2,2-5H3.
What are the key properties of 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane?
4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 258.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2,5-dimethylhept-1-en-3-yl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 123384982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).