Iron(2+) cyclopenta-2,4-dien-1-ide 1-(cyclopenta-2,4-dien-1-ylidene)-3,5,5-trimethylhexan-1-olate (1/1/1)

HCID 71539

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

Physicochemical properties

FDA UNII
2 C32I351 · S02C32I351

Related reactions

2 records

Compound notes

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