CID 11097662

C14H17MnO2 — CID 11097662

IUPAC—
SMILESCC(C)(C)/C=C/C=[Mn].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C7H12.C5H5.2CO.Mn/c1-5-6-7(2,3)4;1-2-4-5-3-1;2*1-2;/h1,5-6H,2-4H3;1-5H;;;/b6-5+;;;;
InChIKeyPXIUDDQTPHBCDE-WPYDVODASA-N
MW272.23 g/mol
LogP2.88
Rot. Bonds1

About CID 11097662

CID 11097662 (PubChem CID 11097662) has the molecular formula C14H17MnO2 and a molecular weight of 272.23 g/mol.

Molecular Properties

Compound NameCID 11097662
PubChem CID11097662
Molecular FormulaC14H17MnO2
Molecular Weight272.23 g/mol
Exact Mass272.06
IUPAC Name—
SMILESCC(C)(C)/C=C/C=[Mn].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C7H12.C5H5.2CO.Mn/c1-5-6-7(2,3)4;1-2-4-5-3-1;2*1-2;/h1,5-6H,2-4H3;1-5H;;;/b6-5+;;;;
InChIKeyPXIUDDQTPHBCDE-WPYDVODASA-N
XLogP2.88
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.88
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 CID 11097662?
The IUPAC name of CID 11097662 (CID 11097662) is not available.
What is the SMILES notation for CID 11097662?
The canonical SMILES for CID 11097662 is CC(C)(C)/C=C/C=[Mn].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11097662?
The InChIKey is PXIUDDQTPHBCDE-WPYDVODASA-N. The full InChI is InChI=1S/C7H12.C5H5.2CO.Mn/c1-5-6-7(2,3)4;1-2-4-5-3-1;2*1-2;/h1,5-6H,2-4H3;1-5H;;;/b6-5+;;;;.
What are the key properties of CID 11097662?
CID 11097662 has a molecular weight of 272.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11097662 is sourced from PubChem (CID 11097662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).