CID 11069704

C24H35CoO2 — CID 11069704

IUPAC—
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C19H30O2.C5H5.Co/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19;1-2-4-5-3-1;/h8-10H,11-13H2,1-7H3;1-5H;/b9-8+;;
InChIKeyIRQXFZRMUHQAAT-YEUQMBKVSA-N
MW414.48 g/mol
LogP6.34
Rot. Bonds1

About CID 11069704

CID 11069704 (PubChem CID 11069704) has the molecular formula C24H35CoO2 and a molecular weight of 414.48 g/mol.

Molecular Properties

Compound NameCID 11069704
PubChem CID11069704
Molecular FormulaC24H35CoO2
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name—
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C19H30O2.C5H5.Co/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19;1-2-4-5-3-1;/h8-10H,11-13H2,1-7H3;1-5H;/b9-8+;;
InChIKeyIRQXFZRMUHQAAT-YEUQMBKVSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11069704?
The IUPAC name of CID 11069704 (CID 11069704) is not available.
What is the SMILES notation for CID 11069704?
The canonical SMILES for CID 11069704 is C/C=C/C1=C(C(C)(C)C)CC2(C=C1C)COC(C)(C)OC2.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 11069704?
The InChIKey is IRQXFZRMUHQAAT-YEUQMBKVSA-N. The full InChI is InChI=1S/C19H30O2.C5H5.Co/c1-8-9-15-14(2)10-19(11-16(15)17(3,4)5)12-20-18(6,7)21-13-19;1-2-4-5-3-1;/h8-10H,11-13H2,1-7H3;1-5H;/b9-8+;;.
What are the key properties of CID 11069704?
CID 11069704 has a molecular weight of 414.48 g/mol, XLogP of 6.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11069704 is sourced from PubChem (CID 11069704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).