ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene

C23H36F6 — CID 145162819

IUPACethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
SMILESC=C/C=C(\C=C/C)C(/C(C=C)=C/C=C\C)(C(F)(F)F)C(F)(F)F.CC.CC.CC
InChIInChI=1S/C17H18F6.3C2H6/c1-5-9-12-13(8-4)15(16(18,19)20,17(21,22)23)14(10-6-2)11-7-3;3*1-2/h5-12H,2,4H2,1,3H3;3*1-2H3/b9-5-,11-7-,13-12+,14-10+;;;
InChIKeyLJSXGXNPLBFNMU-UFYCNXOGSA-N
MW426.53 g/mol
LogP9.55
Rot. Bonds6

About ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene

ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene (PubChem CID 145162819) has the molecular formula C23H36F6 and a molecular weight of 426.53 g/mol. Its IUPAC name is ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene.

Molecular Properties

Compound Nameethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
PubChem CID145162819
Molecular FormulaC23H36F6
Molecular Weight426.53 g/mol
Exact Mass426.27
IUPAC Nameethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
SMILESC=C/C=C(\C=C/C)C(/C(C=C)=C/C=C\C)(C(F)(F)F)C(F)(F)F.CC.CC.CC
InChIInChI=1S/C17H18F6.3C2H6/c1-5-9-12-13(8-4)15(16(18,19)20,17(21,22)23)14(10-6-2)11-7-3;3*1-2/h5-12H,2,4H2,1,3H3;3*1-2H3/b9-5-,11-7-,13-12+,14-10+;;;
InChIKeyLJSXGXNPLBFNMU-UFYCNXOGSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene?
The IUPAC name of ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene (CID 145162819) is ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene.
What is the SMILES notation for ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene?
The canonical SMILES for ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene is C=C/C=C(\C=C/C)C(/C(C=C)=C/C=C\C)(C(F)(F)F)C(F)(F)F.CC.CC.CC.
What is the InChIKey of ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene?
The InChIKey is LJSXGXNPLBFNMU-UFYCNXOGSA-N. The full InChI is InChI=1S/C17H18F6.3C2H6/c1-5-9-12-13(8-4)15(16(18,19)20,17(21,22)23)14(10-6-2)11-7-3;3*1-2/h5-12H,2,4H2,1,3H3;3*1-2H3/b9-5-,11-7-,13-12+,14-10+;;;.
What are the key properties of ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene?
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene has a molecular weight of 426.53 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene is sourced from PubChem (CID 145162819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).