carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium

C13H20O3Re — CID 155885131

IUPACcarbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium
SMILESCC1C(C)C(C)C(C)C1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C10H20.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6-10H,1-5H3;;;;
InChIKeyCPOGPYSYYJLIMU-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.07
Rot. Bonds

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

carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium (PubChem CID 155885131) has the molecular formula C13H20O3Re and a molecular weight of 410.51 g/mol. Its IUPAC name is carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium.

Molecular Properties

Compound Namecarbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium
PubChem CID155885131
Molecular FormulaC13H20O3Re
Molecular Weight410.51 g/mol
Exact Mass411.10
IUPAC Namecarbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium
SMILESCC1C(C)C(C)C(C)C1C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
InChIInChI=1S/C10H20.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6-10H,1-5H3;;;;
InChIKeyCPOGPYSYYJLIMU-UHFFFAOYSA-N
XLogP3.07
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium?
The IUPAC name of carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium (CID 155885131) is carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium.
What is the SMILES notation for carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium?
The canonical SMILES for carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium is CC1C(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-pentamethylcyclopentane;rhenium?
The InChIKey is CPOGPYSYYJLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.3CO.Re/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h6-10H,1-5H3;;;;.
What are the key properties of carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium?
carbon monoxide;1,2,3,4,5-pentamethylcyclopentane;rhenium has a molecular weight of 410.51 g/mol, XLogP of 3.07, 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-pentamethylcyclopentane;rhenium is sourced from PubChem (CID 155885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).