Basic information
- CAS
65606-61-3- Standard SMILES
CC(CC([O-])=C1C=CC=C1)CC(C)(C)C.[Fe+2].c1cc[cH-]c1- InChIKey
ACNAXEZQQXXWAE-UHFFFAOYSA-M- Molecular formula
- C19H26FeO
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.13330295
Names & identifiers
- Preferred name
- Iron(2+) cyclopenta-2,4-dien-1-ide 1-(cyclopenta-2,4-dien-1-ylidene)-3,5,5-trimethylhexan-1-olate (1/1/1)
- IUPAC
- cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylidene-3,5,5-trimethylhexan-1-olate;iron(2+)
- English name
- (3,5,5-TRIMETHYLHEXANOYL)-FERROCENE
- Molecular formula
- C19H17FeO
- Molecular weight
- 317.19
Names & synonyms
DTXSID30984182Iron(2+) cyclopenta-2,4-dien-1-ide 1-(cyclopenta-2,4-dien-1-ylidene)-3,5,5-trimethylhexan-1-olate (1/1/1)RefChem:1087455DTXCID601411400DiciferronDiciferron [INN]65606-61-3(3,5,5-Trimethylhexanoyl)ferroceneS02C32I351Diciferronum3,5,5-Trimethylhexanoyl ferroceneDiciferronum [INN-Latin]
Show more names
(3,5,5-Trimethyl-1-oxohexyl)ferroceneUNII-S02C32I351Ferrocene, (3,5,5-trimethyl-1-oxohexyl)-(+/-)-DICIFERRONSCHEMBL29388548DICIFERRON, (+/-)-ACNAXEZQQXXWAE-UHFFFAOYSA-MNS00121104
Database identifiers
- CAS
65606-61-3- PubChem CID
- 71539
- DTXSID
DTXSID30984182- UNII
- S02C32I351
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- FDA UNII
- 2 C32I351 · S02C32I351
Related reactions
2 records
Compound notes
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