carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)

C17H36PTi — CID 58697956

IUPACcarbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)
SMILESCC(C)(PC1CCCCC1)C1CCCC1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C14H27P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h12-13,15H,3-11H2,1-2H3;3*1H3;/q;3*-1;+3
InChIKeyWKKTVXXPIJQIHU-UHFFFAOYSA-N
MW319.32 g/mol
LogP6.31
Rot. Bonds3

About carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)

carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+) (PubChem CID 58697956) has the molecular formula C17H36PTi and a molecular weight of 319.32 g/mol. Its IUPAC name is carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+).

Molecular Properties

Compound Namecarbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)
PubChem CID58697956
Molecular FormulaC17H36PTi
Molecular Weight319.32 g/mol
Exact Mass319.20
IUPAC Namecarbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)
SMILESCC(C)(PC1CCCCC1)C1CCCC1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C14H27P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h12-13,15H,3-11H2,1-2H3;3*1H3;/q;3*-1;+3
InChIKeyWKKTVXXPIJQIHU-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.32
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)?
The IUPAC name of carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+) (CID 58697956) is carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+).
What is the SMILES notation for carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)?
The canonical SMILES for carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+) is CC(C)(PC1CCCCC1)C1CCCC1.[CH3-].[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)?
The InChIKey is WKKTVXXPIJQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h12-13,15H,3-11H2,1-2H3;3*1H3;/q;3*-1;+3.
What are the key properties of carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+)?
carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+) has a molecular weight of 319.32 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexyl(2-cyclopentylpropan-2-yl)phosphane;titanium(3+) is sourced from PubChem (CID 58697956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).