ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol

C20H37F3O3 — CID 143006793

About ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol

ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol (PubChem CID 143006793) has the molecular formula C20H37F3O3 and a molecular weight of 382.51 g/mol. Its IUPAC name is ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol.

Molecular Properties

• Compound Name: ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol
• PubChem CID: 143006793
• Molecular Formula: C20H37F3O3
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.27
• IUPAC Name: ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol
• SMILES: CC.CC/C=C/[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CCC(O)(CC)C(F)(F)F
• InChI: InChI=1S/C18H31F3O3.C2H6/c1-6-8-9-15(24-5)16(22)14(4)12-13(3)10-11-17(23,7-2)18(19,20)21;1-2/h8-9,12,14-16,22-23H,6-7,10-11H2,1-5H3;1-2H3/b9-8+,13-12-;/t14-,15+,16+,17?;/m1./s1
• InChIKey: OXHNEAJYZUWDCK-XSEZQSMQSA-N
• XLogP: 5.42
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol?

The IUPAC name of ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol (CID 143006793) is ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol.

What is the SMILES notation for ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol?

The canonical SMILES for ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol is CC.CC/C=C/[C@H](OC)[C@@H](O)[C@H](C)/C=C(/C)CCC(O)(CC)C(F)(F)F.

What is the InChIKey of ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol?

The InChIKey is OXHNEAJYZUWDCK-XSEZQSMQSA-N. The full InChI is InChI=1S/C18H31F3O3.C2H6/c1-6-8-9-15(24-5)16(22)14(4)12-13(3)10-11-17(23,7-2)18(19,20)21;1-2/h8-9,12,14-16,22-23H,6-7,10-11H2,1-5H3;1-2H3/b9-8+,13-12-;/t14-,15+,16+,17?;/m1./s1.

What are the key properties of ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol?

ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol has a molecular weight of 382.51 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-3-(trifluoromethyl)tetradeca-6,11-diene-3,9-diol is sourced from PubChem (CID 143006793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).