(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol

C15H24F2O2 — CID 134447520

IUPAC(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
SMILESC=C(/C(F)=C(F)\C(=C/CC)OCC)C(C)CCCO
InChIInChI=1S/C15H24F2O2/c1-5-8-13(19-6-2)15(17)14(16)12(4)11(3)9-7-10-18/h8,11,18H,4-7,9-10H2,1-3H3/b13-8+,15-14-
InChIKeyCJSDVRQIQWDLIH-VEEDHSDUSA-N
MW274.35 g/mol
LogP4.43
Rot. Bonds9

About (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol

(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol (PubChem CID 134447520) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol.

Molecular Properties

Compound Name(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
PubChem CID134447520
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
SMILESC=C(/C(F)=C(F)\C(=C/CC)OCC)C(C)CCCO
InChIInChI=1S/C15H24F2O2/c1-5-8-13(19-6-2)15(17)14(16)12(4)11(3)9-7-10-18/h8,11,18H,4-7,9-10H2,1-3H3/b13-8+,15-14-
InChIKeyCJSDVRQIQWDLIH-VEEDHSDUSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol?
The IUPAC name of (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol (CID 134447520) is (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol.
What is the SMILES notation for (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol?
The canonical SMILES for (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol is C=C(/C(F)=C(F)\C(=C/CC)OCC)C(C)CCCO.
What is the InChIKey of (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol?
The InChIKey is CJSDVRQIQWDLIH-VEEDHSDUSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-5-8-13(19-6-2)15(17)14(16)12(4)11(3)9-7-10-18/h8,11,18H,4-7,9-10H2,1-3H3/b13-8+,15-14-.
What are the key properties of (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol?
(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol has a molecular weight of 274.35 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol is sourced from PubChem (CID 134447520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).