[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride

C18H40Cl2P2Ti — CID 173290093

IUPAC[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride
SMILESCC(C)P.CC(C)PC1CCCC(C(C)C)(C(C)C)C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H31P.C3H9P.2ClH.Ti/c1-11(2)15(12(3)4)9-7-8-14(10-15)16-13(5)6;1-3(2)4;;;/h11-14,16H,7-10H2,1-6H3;3H,4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyGERZQIPXQITAEF-UHFFFAOYSA-L
MW437.24 g/mol
LogP0.59
Rot. Bonds4

About [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride

[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride (PubChem CID 173290093) has the molecular formula C18H40Cl2P2Ti and a molecular weight of 437.24 g/mol. Its IUPAC name is [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride.

Molecular Properties

Compound Name[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride
PubChem CID173290093
Molecular FormulaC18H40Cl2P2Ti
Molecular Weight437.24 g/mol
Exact Mass436.15
IUPAC Name[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride
SMILESCC(C)P.CC(C)PC1CCCC(C(C)C)(C(C)C)C1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H31P.C3H9P.2ClH.Ti/c1-11(2)15(12(3)4)9-7-8-14(10-15)16-13(5)6;1-3(2)4;;;/h11-14,16H,7-10H2,1-6H3;3H,4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyGERZQIPXQITAEF-UHFFFAOYSA-L
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride?
The IUPAC name of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride (CID 173290093) is [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride.
What is the SMILES notation for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride?
The canonical SMILES for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride is CC(C)P.CC(C)PC1CCCC(C(C)C)(C(C)C)C1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride?
The InChIKey is GERZQIPXQITAEF-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H31P.C3H9P.2ClH.Ti/c1-11(2)15(12(3)4)9-7-8-14(10-15)16-13(5)6;1-3(2)4;;;/h11-14,16H,7-10H2,1-6H3;3H,4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride?
[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride has a molecular weight of 437.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;propan-2-ylphosphane;titanium(2+);dichloride is sourced from PubChem (CID 173290093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).