carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)

C17H32PTi — CID 21052043

IUPACcarbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
SMILESCC(C)(PC1CCCCC1)C1=CCC=C1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C14H23P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h6,8-9,13,15H,3-5,7,10-11H2,1-2H3;3*1H3;/q;3*-1;+3
InChIKeyGNSBCGIMDBFMMK-UHFFFAOYSA-N
MW315.28 g/mol
LogP6.01
Rot. Bonds3

About carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)

carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+) (PubChem CID 21052043) has the molecular formula C17H32PTi and a molecular weight of 315.28 g/mol. Its IUPAC name is carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+).

Molecular Properties

Compound Namecarbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
PubChem CID21052043
Molecular FormulaC17H32PTi
Molecular Weight315.28 g/mol
Exact Mass315.17
IUPAC Namecarbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
SMILESCC(C)(PC1CCCCC1)C1=CCC=C1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C14H23P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h6,8-9,13,15H,3-5,7,10-11H2,1-2H3;3*1H3;/q;3*-1;+3
InChIKeyGNSBCGIMDBFMMK-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 56.01
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-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)?
The IUPAC name of carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+) (CID 21052043) is carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+).
What is the SMILES notation for carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)?
The canonical SMILES for carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+) is CC(C)(PC1CCCCC1)C1=CCC=C1.[CH3-].[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)?
The InChIKey is GNSBCGIMDBFMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23P.3CH3.Ti/c1-14(2,12-8-6-7-9-12)15-13-10-4-3-5-11-13;;;;/h6,8-9,13,15H,3-5,7,10-11H2,1-2H3;3*1H3;/q;3*-1;+3.
What are the key properties of carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)?
carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+) has a molecular weight of 315.28 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+) is sourced from PubChem (CID 21052043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).