(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol

C10H15F3O — CID 15666354

IUPAC(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(/C(C)=C/C)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-5-7(3)9(14,8(4)6-2)10(11,12)13/h5-6,14H,1-4H3/b7-5+,8-6+
InChIKeyINASIOZDCZNXLQ-KQQUZDAGSA-N
MW208.22 g/mol
LogP3.21
Rot. Bonds2

About (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol

(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol (PubChem CID 15666354) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol
PubChem CID15666354
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(/C(C)=C/C)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-5-7(3)9(14,8(4)6-2)10(11,12)13/h5-6,14H,1-4H3/b7-5+,8-6+
InChIKeyINASIOZDCZNXLQ-KQQUZDAGSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol (CID 15666354) is (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol is C/C=C(\C)C(O)(/C(C)=C/C)C(F)(F)F.
What is the InChIKey of (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol?
The InChIKey is INASIOZDCZNXLQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H15F3O/c1-5-7(3)9(14,8(4)6-2)10(11,12)13/h5-6,14H,1-4H3/b7-5+,8-6+.
What are the key properties of (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol?
(2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol has a molecular weight of 208.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3,5-dimethyl-4-(trifluoromethyl)hepta-2,5-dien-4-ol is sourced from PubChem (CID 15666354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).