cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium

C12H28NO3Ti- — CID 21039851

IUPACcyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.O[N-]C1CCCCC1.[Ti]
InChIInChI=1S/C6H12NO.2C3H8O.Ti/c8-7-6-4-2-1-3-5-6;2*1-3(2)4;/h6,8H,1-5H2;2*3-4H,1-2H3;/q-1;;;
InChIKeyTUULQIMSZALQMN-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.85
Rot. Bonds1

About cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium

cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium (PubChem CID 21039851) has the molecular formula C12H28NO3Ti- and a molecular weight of 282.23 g/mol. Its IUPAC name is cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium.

Molecular Properties

Compound Namecyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium
PubChem CID21039851
Molecular FormulaC12H28NO3Ti-
Molecular Weight282.23 g/mol
Exact Mass282.16
IUPAC Namecyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.O[N-]C1CCCCC1.[Ti]
InChIInChI=1S/C6H12NO.2C3H8O.Ti/c8-7-6-4-2-1-3-5-6;2*1-3(2)4;/h6,8H,1-5H2;2*3-4H,1-2H3;/q-1;;;
InChIKeyTUULQIMSZALQMN-UHFFFAOYSA-N
XLogP2.85
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium?
The IUPAC name of cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium (CID 21039851) is cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium.
What is the SMILES notation for cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium?
The canonical SMILES for cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium is CC(C)O.CC(C)O.O[N-]C1CCCCC1.[Ti].
What is the InChIKey of cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium?
The InChIKey is TUULQIMSZALQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.2C3H8O.Ti/c8-7-6-4-2-1-3-5-6;2*1-3(2)4;/h6,8H,1-5H2;2*3-4H,1-2H3;/q-1;;;.
What are the key properties of cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium?
cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium has a molecular weight of 282.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(hydroxy)azanide;bis(propan-2-ol);titanium is sourced from PubChem (CID 21039851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).