dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium

C32H66NO3Ti- — CID 173349363

IUPACdimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium
SMILESCC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.C[N-]C.[Ti]
InChIInChI=1S/3C10H20O.C2H6N.Ti/c3*1-9(2,3)7-8(11)10(4,5)6;1-3-2;/h3*7,11H,1-6H3;1-2H3;/q;;;-1;
InChIKeyVWHOSKBJDWTPFD-UHFFFAOYSA-N
MW560.75 g/mol
LogP11.18
Rot. Bonds

About dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium

dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium (PubChem CID 173349363) has the molecular formula C32H66NO3Ti- and a molecular weight of 560.75 g/mol. Its IUPAC name is dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium.

Molecular Properties

Compound Namedimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium
PubChem CID173349363
Molecular FormulaC32H66NO3Ti-
Molecular Weight560.75 g/mol
Exact Mass560.45
IUPAC Namedimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium
SMILESCC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.C[N-]C.[Ti]
InChIInChI=1S/3C10H20O.C2H6N.Ti/c3*1-9(2,3)7-8(11)10(4,5)6;1-3-2;/h3*7,11H,1-6H3;1-2H3;/q;;;-1;
InChIKeyVWHOSKBJDWTPFD-UHFFFAOYSA-N
XLogP11.18
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 511.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium?
The IUPAC name of dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium (CID 173349363) is dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium.
What is the SMILES notation for dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium?
The canonical SMILES for dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium is CC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.CC(C)(C)C=C(O)C(C)(C)C.C[N-]C.[Ti].
What is the InChIKey of dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium?
The InChIKey is VWHOSKBJDWTPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H20O.C2H6N.Ti/c3*1-9(2,3)7-8(11)10(4,5)6;1-3-2;/h3*7,11H,1-6H3;1-2H3;/q;;;-1;.
What are the key properties of dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium?
dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium has a molecular weight of 560.75 g/mol, XLogP of 11.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium is sourced from PubChem (CID 173349363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).