chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene

C11H10ClCoO- — CID 167440879

IUPACchloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
SMILESOC(Cl)=C1C=CC=C1.[Co].c1cc[cH-]c1
InChIInChI=1S/C6H5ClO.C5H5.Co/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8H;1-5H;/q;-1;
InChIKeySCSGLRKGEWYGII-UHFFFAOYSA-N
MW252.59 g/mol
LogP3.52
Rot. Bonds

About chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene

chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene (PubChem CID 167440879) has the molecular formula C11H10ClCoO- and a molecular weight of 252.59 g/mol. Its IUPAC name is chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene.

Molecular Properties

Compound Namechloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
PubChem CID167440879
Molecular FormulaC11H10ClCoO-
Molecular Weight252.59 g/mol
Exact Mass251.98
IUPAC Namechloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
SMILESOC(Cl)=C1C=CC=C1.[Co].c1cc[cH-]c1
InChIInChI=1S/C6H5ClO.C5H5.Co/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8H;1-5H;/q;-1;
InChIKeySCSGLRKGEWYGII-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cobalt;cyclopenta-1,3-diene
CID 25199992
cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
CID 176895077
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
CID 171395327
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
N,N-bis[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]prop-2-ynamide;bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 172991410
cyclopenta-1,3-diene;1,4-dichlorobenzene;iron(2+)
CID 15191942
carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
CID 175233850
chlorochromium(2+);bis(cyclopenta-1,3-diene)
CID 154427565
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide
CID 160804559
chloromercury;cyclopenta-1,3-diene
CID 25036899

Frequently Asked Questions

What is the IUPAC name of chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene?
The IUPAC name of chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene (CID 167440879) is chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene.
What is the SMILES notation for chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene?
The canonical SMILES for chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene is OC(Cl)=C1C=CC=C1.[Co].c1cc[cH-]c1.
What is the InChIKey of chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene?
The InChIKey is SCSGLRKGEWYGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C5H5.Co/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8H;1-5H;/q;-1;.
What are the key properties of chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene?
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene has a molecular weight of 252.59 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene is sourced from PubChem (CID 167440879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).