ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol

C14H23F3O — CID 156893331

IUPACethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F.CC
InChIInChI=1S/C12H17F3O.C2H6/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15;1-2/h4,6-8,16H,1,5,9H2,2-3H3;1-2H3/b8-7-,10-6+;
InChIKeyZIXSBQQPXOYSAO-OFMRAAKSSA-N
MW264.33 g/mol
LogP4.79
Rot. Bonds5

About ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol

ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol (PubChem CID 156893331) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol.

Molecular Properties

Compound Nameethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
PubChem CID156893331
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Nameethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F.CC
InChIInChI=1S/C12H17F3O.C2H6/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15;1-2/h4,6-8,16H,1,5,9H2,2-3H3;1-2H3/b8-7-,10-6+;
InChIKeyZIXSBQQPXOYSAO-OFMRAAKSSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The IUPAC name of ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol (CID 156893331) is ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol.
What is the SMILES notation for ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The canonical SMILES for ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol is C=C/C=C\C(=C/C)C(O)(CCC)C(F)(F)F.CC.
What is the InChIKey of ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
The InChIKey is ZIXSBQQPXOYSAO-OFMRAAKSSA-N. The full InChI is InChI=1S/C12H17F3O.C2H6/c1-4-7-8-10(6-3)11(16,9-5-2)12(13,14)15;1-2/h4,6-8,16H,1,5,9H2,2-3H3;1-2H3/b8-7-,10-6+;.
What are the key properties of ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol?
ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol has a molecular weight of 264.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E,6Z)-5-ethylidene-4-(trifluoromethyl)nona-6,8-dien-4-ol is sourced from PubChem (CID 156893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).