cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane

C31H32NOPRe-2 — CID 23281160

IUPACcyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane
SMILESC1CCCC1.[H]/[C-]=C\c1ccccc1.[N-]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H7.C5H10.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2;/h1-15H;1-7H;1-5H2;;/q;-1;;-1;
InChIKeyQDECXPACSCQKGC-UHFFFAOYSA-N
MW651.78 g/mol
LogP7.85
Rot. Bonds4

About cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane

cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane (PubChem CID 23281160) has the molecular formula C31H32NOPRe-2 and a molecular weight of 651.78 g/mol. Its IUPAC name is cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane.

Molecular Properties

Compound Namecyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane
PubChem CID23281160
Molecular FormulaC31H32NOPRe-2
Molecular Weight651.78 g/mol
Exact Mass652.18
IUPAC Namecyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane
SMILESC1CCCC1.[H]/[C-]=C\c1ccccc1.[N-]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H7.C5H10.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2;/h1-15H;1-7H;1-5H2;;/q;-1;;-1;
InChIKeyQDECXPACSCQKGC-UHFFFAOYSA-N
XLogP7.85
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.78
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane?
The IUPAC name of cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane (CID 23281160) is cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane.
What is the SMILES notation for cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane?
The canonical SMILES for cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane is C1CCCC1.[H]/[C-]=C\c1ccccc1.[N-]=O.[Re].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane?
The InChIKey is QDECXPACSCQKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C8H7.C5H10.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;1-2;/h1-15H;1-7H;1-5H2;;/q;-1;;-1;.
What are the key properties of cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane?
cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane has a molecular weight of 651.78 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethenylbenzene;nitroxyl anion;rhenium;triphenylphosphane is sourced from PubChem (CID 23281160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).