(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene

C15H24ClF — CID 174254769

IUPAC(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene
SMILESC=C(/C(F)=C(C)\C=C(/C)C(C)(C)C)C(C)(C)Cl
InChIInChI=1S/C15H24ClF/c1-10(9-11(2)14(4,5)6)13(17)12(3)15(7,8)16/h9H,3H2,1-2,4-8H3/b11-9+,13-10+
InChIKeyDPEYCRHIWUJMBP-HOJJKJLFSA-N
MW258.81 g/mol
LogP5.80
Rot. Bonds3

About (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene

(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene (PubChem CID 174254769) has the molecular formula C15H24ClF and a molecular weight of 258.81 g/mol. Its IUPAC name is (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene
PubChem CID174254769
Molecular FormulaC15H24ClF
Molecular Weight258.81 g/mol
Exact Mass258.16
IUPAC Name(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene
SMILESC=C(/C(F)=C(C)\C=C(/C)C(C)(C)C)C(C)(C)Cl
InChIInChI=1S/C15H24ClF/c1-10(9-11(2)14(4,5)6)13(17)12(3)15(7,8)16/h9H,3H2,1-2,4-8H3/b11-9+,13-10+
InChIKeyDPEYCRHIWUJMBP-HOJJKJLFSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.81
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene?
The IUPAC name of (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene (CID 174254769) is (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene.
What is the SMILES notation for (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene?
The canonical SMILES for (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene is C=C(/C(F)=C(C)\C=C(/C)C(C)(C)C)C(C)(C)Cl.
What is the InChIKey of (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene?
The InChIKey is DPEYCRHIWUJMBP-HOJJKJLFSA-N. The full InChI is InChI=1S/C15H24ClF/c1-10(9-11(2)14(4,5)6)13(17)12(3)15(7,8)16/h9H,3H2,1-2,4-8H3/b11-9+,13-10+.
What are the key properties of (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene?
(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene has a molecular weight of 258.81 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene is sourced from PubChem (CID 174254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).