CID 10991363

C21H27Co — CID 10991363

IUPAC—
SMILESCC(C)=C1C=C2CCCCC2=C2CCCC12.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H22.C5H5.Co/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16;1-2-4-5-3-1;/h10,15H,3-9H2,1-2H3;1-5H;
InChIKeyRWBUPGIOLDTKMC-UHFFFAOYSA-N
MW338.38 g/mol
LogP6.25
Rot. Bonds

About CID 10991363

CID 10991363 (PubChem CID 10991363) has the molecular formula C21H27Co and a molecular weight of 338.38 g/mol.

Molecular Properties

Compound NameCID 10991363
PubChem CID10991363
Molecular FormulaC21H27Co
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name—
SMILESCC(C)=C1C=C2CCCCC2=C2CCCC12.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H22.C5H5.Co/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16;1-2-4-5-3-1;/h10,15H,3-9H2,1-2H3;1-5H;
InChIKeyRWBUPGIOLDTKMC-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 10991363?
The IUPAC name of CID 10991363 (CID 10991363) is not available.
What is the SMILES notation for CID 10991363?
The canonical SMILES for CID 10991363 is CC(C)=C1C=C2CCCCC2=C2CCCC12.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 10991363?
The InChIKey is RWBUPGIOLDTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.C5H5.Co/c1-11(2)16-10-12-6-3-4-7-13(12)14-8-5-9-15(14)16;1-2-4-5-3-1;/h10,15H,3-9H2,1-2H3;1-5H;.
What are the key properties of CID 10991363?
CID 10991363 has a molecular weight of 338.38 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10991363 is sourced from PubChem (CID 10991363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).