16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane

C24H47FO — CID 155014901

IUPAC16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane
SMILESC=C(C)CCCOCCCCC(C)CCCCCCCCCCC(C)F
InChIInChI=1S/C24H47FO/c1-22(2)16-15-21-26-20-14-13-18-23(3)17-11-9-7-5-6-8-10-12-19-24(4)25/h23-24H,1,5-21H2,2-4H3
InChIKeyBAEWYHIFONZPJD-UHFFFAOYSA-N
MW370.64 g/mol
LogP8.42
Rot. Bonds20

About 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane

16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane (PubChem CID 155014901) has the molecular formula C24H47FO and a molecular weight of 370.64 g/mol. Its IUPAC name is 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane.

Molecular Properties

Compound Name16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane
PubChem CID155014901
Molecular FormulaC24H47FO
Molecular Weight370.64 g/mol
Exact Mass370.36
IUPAC Name16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane
SMILESC=C(C)CCCOCCCCC(C)CCCCCCCCCCC(C)F
InChIInChI=1S/C24H47FO/c1-22(2)16-15-21-26-20-14-13-18-23(3)17-11-9-7-5-6-8-10-12-19-24(4)25/h23-24H,1,5-21H2,2-4H3
InChIKeyBAEWYHIFONZPJD-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane?
The IUPAC name of 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane (CID 155014901) is 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane.
What is the SMILES notation for 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane?
The canonical SMILES for 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane is C=C(C)CCCOCCCCC(C)CCCCCCCCCCC(C)F.
What is the InChIKey of 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane?
The InChIKey is BAEWYHIFONZPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47FO/c1-22(2)16-15-21-26-20-14-13-18-23(3)17-11-9-7-5-6-8-10-12-19-24(4)25/h23-24H,1,5-21H2,2-4H3.
What are the key properties of 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane?
16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane has a molecular weight of 370.64 g/mol, XLogP of 8.42, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-5-methyl-1-(4-methylpent-4-enoxy)heptadecane is sourced from PubChem (CID 155014901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).