(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one

C12H18F2O2 — CID 71718649

IUPAC(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)C(C)(C)C
InChIInChI=1S/C12H18F2O2/c1-5-6-7-8-9(15)12(13,14)10(16)11(2,3)4/h5-9,15H,1-4H3/b6-5+,8-7+
InChIKeyMJKTVZAPVZOHSG-BSWSSELBSA-N
MW232.27 g/mol
LogP2.73
Rot. Bonds4

About (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one

(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one (PubChem CID 71718649) has the molecular formula C12H18F2O2 and a molecular weight of 232.27 g/mol. Its IUPAC name is (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one.

Molecular Properties

Compound Name(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one
PubChem CID71718649
Molecular FormulaC12H18F2O2
Molecular Weight232.27 g/mol
Exact Mass232.13
IUPAC Name(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)C(C)(C)C
InChIInChI=1S/C12H18F2O2/c1-5-6-7-8-9(15)12(13,14)10(16)11(2,3)4/h5-9,15H,1-4H3/b6-5+,8-7+
InChIKeyMJKTVZAPVZOHSG-BSWSSELBSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E,5E)-2-deuteriohepta-3,5-dien-2-yl] 2,2-dimethylpropanoate
CID 14712011
2-[(1E,3E)-penta-1,3-dienyl]propanedioic acid
CID 88726235
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
1-chloro-1,1-difluoro-3,3-dimethylbutan-2-one
CID 112574715
hexa-2,4-dienoic acid;propan-2-ol
CID 174930282
(E)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 130038234
(E,6S)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 10702067
(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
CID 88997135
hepta-3,5-dien-2-yl dihydrogen phosphate
CID 123655665
(4E)-hexa-2,4-diene
CID 22435466
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126494567

Frequently Asked Questions

What is the IUPAC name of (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one?
The IUPAC name of (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one (CID 71718649) is (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one.
What is the SMILES notation for (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one?
The canonical SMILES for (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one is C/C=C/C=C/C(O)C(F)(F)C(=O)C(C)(C)C.
What is the InChIKey of (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one?
The InChIKey is MJKTVZAPVZOHSG-BSWSSELBSA-N. The full InChI is InChI=1S/C12H18F2O2/c1-5-6-7-8-9(15)12(13,14)10(16)11(2,3)4/h5-9,15H,1-4H3/b6-5+,8-7+.
What are the key properties of (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one?
(6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one has a molecular weight of 232.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-4,4-difluoro-5-hydroxy-2,2-dimethyldeca-6,8-dien-3-one is sourced from PubChem (CID 71718649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).