6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene

C18H27F — CID 91344627

IUPAC6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene
SMILESCCCC=c1cc(F)ccc1=CCCCC(C)(C)C
InChIInChI=1S/C18H27F/c1-5-6-9-16-14-17(19)12-11-15(16)10-7-8-13-18(2,3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyWKPHVEMJKBMFQN-UHFFFAOYSA-N
MW262.41 g/mol
LogP4.40
Rot. Bonds5

About 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene

6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene (PubChem CID 91344627) has the molecular formula C18H27F and a molecular weight of 262.41 g/mol. Its IUPAC name is 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene
PubChem CID91344627
Molecular FormulaC18H27F
Molecular Weight262.41 g/mol
Exact Mass262.21
IUPAC Name6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene
SMILESCCCC=c1cc(F)ccc1=CCCCC(C)(C)C
InChIInChI=1S/C18H27F/c1-5-6-9-16-14-17(19)12-11-15(16)10-7-8-13-18(2,3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKeyWKPHVEMJKBMFQN-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 54.40
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 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene (CID 91344627) is 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene is CCCC=c1cc(F)ccc1=CCCCC(C)(C)C.
What is the InChIKey of 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene?
The InChIKey is WKPHVEMJKBMFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F/c1-5-6-9-16-14-17(19)12-11-15(16)10-7-8-13-18(2,3)4/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene?
6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene has a molecular weight of 262.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 91344627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).