carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium

C13H16O3Re — CID 155885990

IUPACcarbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
SMILESCC1=C(C)C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C10H16.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6H,1-5H3;;;;
InChIKeyFHTLYWQTOMRUCW-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.19
Rot. Bonds

About carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium

carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium (PubChem CID 155885990) has the molecular formula C13H16O3Re and a molecular weight of 406.48 g/mol. Its IUPAC name is carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium.

Molecular Properties

Compound Namecarbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
PubChem CID155885990
Molecular FormulaC13H16O3Re
Molecular Weight406.48 g/mol
Exact Mass407.07
IUPAC Namecarbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
SMILESCC1=C(C)C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C10H16.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6H,1-5H3;;;;
InChIKeyFHTLYWQTOMRUCW-UHFFFAOYSA-N
XLogP3.19
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158383790
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
CID 10940628
CID 10940628
1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 173219892
(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;zirconium(2+);dichloride
CID 173246971
(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
CID 118191387
propane;1,2,3,5-tetramethyl-4-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 54181642
2,3,4,5-tetramethylcyclopenta-1,4-diene-1-carboxylic acid
CID 11805120
2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
CID 118968445
2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)propan-2-amine
CID 67592209
cobalt(2+);bis((2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)methanone)
CID 87505213
iron;bis(1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene)
CID 22465099

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium?
The IUPAC name of carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium (CID 155885990) is carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium.
What is the SMILES notation for carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium?
The canonical SMILES for carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium is CC1=C(C)C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].
What is the InChIKey of carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium?
The InChIKey is FHTLYWQTOMRUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6H,1-5H3;;;;.
What are the key properties of carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium?
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium has a molecular weight of 406.48 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium is sourced from PubChem (CID 155885990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).