(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene

C25H39F — CID 167046089

IUPAC(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene
SMILESC=C(/C=C\C(=C/C)C(C)F)/C(C)=C(\CC/C(C)=C/C=C(C)C)C(C)CC
InChIInChI=1S/C25H39F/c1-10-20(6)25(17-14-19(5)13-12-18(3)4)22(8)21(7)15-16-24(11-2)23(9)26/h11-13,15-16,20,23H,7,10,14,17H2,1-6,8-9H3/b16-15-,19-13+,24-11+,25-22+
InChIKeyHBRBHBUZLFXJDH-FSNGLSQNSA-N
MW358.59 g/mol
LogP8.46
Rot. Bonds10

About (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene

(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene (PubChem CID 167046089) has the molecular formula C25H39F and a molecular weight of 358.59 g/mol. Its IUPAC name is (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene.

Molecular Properties

Compound Name(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene
PubChem CID167046089
Molecular FormulaC25H39F
Molecular Weight358.59 g/mol
Exact Mass358.30
IUPAC Name(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene
SMILESC=C(/C=C\C(=C/C)C(C)F)/C(C)=C(\CC/C(C)=C/C=C(C)C)C(C)CC
InChIInChI=1S/C25H39F/c1-10-20(6)25(17-14-19(5)13-12-18(3)4)22(8)21(7)15-16-24(11-2)23(9)26/h11-13,15-16,20,23H,7,10,14,17H2,1-6,8-9H3/b16-15-,19-13+,24-11+,25-22+
InChIKeyHBRBHBUZLFXJDH-FSNGLSQNSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.59
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene?
The IUPAC name of (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene (CID 167046089) is (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene.
What is the SMILES notation for (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene?
The canonical SMILES for (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene is C=C(/C=C\C(=C/C)C(C)F)/C(C)=C(\CC/C(C)=C/C=C(C)C)C(C)CC.
What is the InChIKey of (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene?
The InChIKey is HBRBHBUZLFXJDH-FSNGLSQNSA-N. The full InChI is InChI=1S/C25H39F/c1-10-20(6)25(17-14-19(5)13-12-18(3)4)22(8)21(7)15-16-24(11-2)23(9)26/h11-13,15-16,20,23H,7,10,14,17H2,1-6,8-9H3/b16-15-,19-13+,24-11+,25-22+.
What are the key properties of (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene?
(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene has a molecular weight of 358.59 g/mol, XLogP of 8.46, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene is sourced from PubChem (CID 167046089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).