(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol

C11H17F3O — CID 56942415

IUPAC(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,7,10,15H,4,6H2,1-3H3/b9-7+
InChIKeyIAGHHLMECLYWED-VQHVLOKHSA-N
MW222.25 g/mol
LogP3.60
Rot. Bonds4

About (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol

(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol (PubChem CID 56942415) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
PubChem CID56942415
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/C(O)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,7,10,15H,4,6H2,1-3H3/b9-7+
InChIKeyIAGHHLMECLYWED-VQHVLOKHSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 90239872
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 87863906
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652

Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol?
The IUPAC name of (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol (CID 56942415) is (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol?
The canonical SMILES for (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol is CC(C)=CCC/C(C)=C/C(O)C(F)(F)F.
What is the InChIKey of (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol?
The InChIKey is IAGHHLMECLYWED-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H17F3O/c1-8(2)5-4-6-9(3)7-10(15)11(12,13)14/h5,7,10,15H,4,6H2,1-3H3/b9-7+.
What are the key properties of (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol?
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol has a molecular weight of 222.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 56942415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).