(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol

C13H21F3O — CID 126725696

IUPAC(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol
SMILESC/C=C\C(=C(/C)C(C)(O)CCCC)C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-5-7-9-12(4,17)10(3)11(8-6-2)13(14,15)16/h6,8,17H,5,7,9H2,1-4H3/b8-6-,11-10-
InChIKeyUKQYLYBQHXTSDY-CAVDHDHCSA-N
MW250.30 g/mol
LogP4.38
Rot. Bonds5

About (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol

(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol (PubChem CID 126725696) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol.

Molecular Properties

Compound Name(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol
PubChem CID126725696
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol
SMILESC/C=C\C(=C(/C)C(C)(O)CCCC)C(F)(F)F
InChIInChI=1S/C13H21F3O/c1-5-7-9-12(4,17)10(3)11(8-6-2)13(14,15)16/h6,8,17H,5,7,9H2,1-4H3/b8-6-,11-10-
InChIKeyUKQYLYBQHXTSDY-CAVDHDHCSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.38
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 (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol?
The IUPAC name of (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol (CID 126725696) is (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol.
What is the SMILES notation for (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol?
The canonical SMILES for (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol is C/C=C\C(=C(/C)C(C)(O)CCCC)C(F)(F)F.
What is the InChIKey of (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol?
The InChIKey is UKQYLYBQHXTSDY-CAVDHDHCSA-N. The full InChI is InChI=1S/C13H21F3O/c1-5-7-9-12(4,17)10(3)11(8-6-2)13(14,15)16/h6,8,17H,5,7,9H2,1-4H3/b8-6-,11-10-.
What are the key properties of (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol?
(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol has a molecular weight of 250.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol is sourced from PubChem (CID 126725696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).