8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane

C24H47F — CID 89380212

IUPAC8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane
SMILESC=C(F)C(C)(C)CC(C)(C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C24H47F/c1-8-10-12-14-16-18-22(19-17-15-13-11-9-2)24(6,7)20-23(4,5)21(3)25/h22H,3,8-20H2,1-2,4-7H3
InChIKeyJSCNPXMGYHAORP-UHFFFAOYSA-N
MW354.64 g/mol
LogP9.25
Rot. Bonds16

About 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane

8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane (PubChem CID 89380212) has the molecular formula C24H47F and a molecular weight of 354.64 g/mol. Its IUPAC name is 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane.

Molecular Properties

Compound Name8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane
PubChem CID89380212
Molecular FormulaC24H47F
Molecular Weight354.64 g/mol
Exact Mass354.37
IUPAC Name8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane
SMILESC=C(F)C(C)(C)CC(C)(C)C(CCCCCCC)CCCCCCC
InChIInChI=1S/C24H47F/c1-8-10-12-14-16-18-22(19-17-15-13-11-9-2)24(6,7)20-23(4,5)21(3)25/h22H,3,8-20H2,1-2,4-7H3
InChIKeyJSCNPXMGYHAORP-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane?
The IUPAC name of 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane (CID 89380212) is 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane.
What is the SMILES notation for 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane?
The canonical SMILES for 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane is C=C(F)C(C)(C)CC(C)(C)C(CCCCCCC)CCCCCCC.
What is the InChIKey of 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane?
The InChIKey is JSCNPXMGYHAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47F/c1-8-10-12-14-16-18-22(19-17-15-13-11-9-2)24(6,7)20-23(4,5)21(3)25/h22H,3,8-20H2,1-2,4-7H3.
What are the key properties of 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane?
8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane has a molecular weight of 354.64 g/mol, XLogP of 9.25, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2,4,4-trimethylhex-5-en-2-yl)pentadecane is sourced from PubChem (CID 89380212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).