ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol

C14H23F3O — CID 143267431

IUPACethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CC)/C(F)(F)F.CC
InChIInChI=1S/C12H17F3O.C2H6/c1-4-7-11(12(13,14)15)9(5-2)8-10(16)6-3;1-2/h4-5,7,10,16H,1,6,8H2,2-3H3;1-2H3/b9-5-,11-7+;
InChIKeyGCBUDWFWPXQCDM-FOTZTJJOSA-N
MW264.33 g/mol
LogP4.79
Rot. Bonds5

About ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol

ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol (PubChem CID 143267431) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
PubChem CID143267431
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Nameethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CC)/C(F)(F)F.CC
InChIInChI=1S/C12H17F3O.C2H6/c1-4-7-11(12(13,14)15)9(5-2)8-10(16)6-3;1-2/h4-5,7,10,16H,1,6,8H2,2-3H3;1-2H3/b9-5-,11-7+;
InChIKeyGCBUDWFWPXQCDM-FOTZTJJOSA-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;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol (CID 143267431) is ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol is C=C/C=C(C(=C/C)\CC(O)CC)/C(F)(F)F.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol?
The InChIKey is GCBUDWFWPXQCDM-FOTZTJJOSA-N. The full InChI is InChI=1S/C12H17F3O.C2H6/c1-4-7-11(12(13,14)15)9(5-2)8-10(16)6-3;1-2/h4-5,7,10,16H,1,6,8H2,2-3H3;1-2H3/b9-5-,11-7+;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol?
ethane;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-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;(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol is sourced from PubChem (CID 143267431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).