(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol

C12H15F3O — CID 118137045

IUPAC(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol
SMILESC=C1/C=C\C(C)=C(\C(F)(F)F)CCC[C@@H]1O
InChIInChI=1S/C12H15F3O/c1-8-6-7-9(2)11(16)5-3-4-10(8)12(13,14)15/h6-7,11,16H,2-5H2,1H3/b7-6-,10-8+/t11-/m0/s1
InChIKeyPZALBAMHYOUYRH-AXYXBMLESA-N
MW232.24 g/mol
LogP3.52
Rot. Bonds

About (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol

(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol (PubChem CID 118137045) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol.

Molecular Properties

Compound Name(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol
PubChem CID118137045
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol
SMILESC=C1/C=C\C(C)=C(\C(F)(F)F)CCC[C@@H]1O
InChIInChI=1S/C12H15F3O/c1-8-6-7-9(2)11(16)5-3-4-10(8)12(13,14)15/h6-7,11,16H,2-5H2,1H3/b7-6-,10-8+/t11-/m0/s1
InChIKeyPZALBAMHYOUYRH-AXYXBMLESA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol?
The IUPAC name of (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol (CID 118137045) is (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol.
What is the SMILES notation for (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol?
The canonical SMILES for (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol is C=C1/C=C\C(C)=C(\C(F)(F)F)CCC[C@@H]1O.
What is the InChIKey of (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol?
The InChIKey is PZALBAMHYOUYRH-AXYXBMLESA-N. The full InChI is InChI=1S/C12H15F3O/c1-8-6-7-9(2)11(16)5-3-4-10(8)12(13,14)15/h6-7,11,16H,2-5H2,1H3/b7-6-,10-8+/t11-/m0/s1.
What are the key properties of (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol?
(1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol has a molecular weight of 232.24 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z,5E)-5-methyl-2-methylidene-6-(trifluoromethyl)cyclonona-3,5-dien-1-ol is sourced from PubChem (CID 118137045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).