[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)

C20H46O2P2Ti — CID 173290139

IUPAC[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)
SMILESCC(C)[O-].CC(C)[O-].CP.CPC1CCCC(C(C)C)(C(C)C)C1.[Ti+2]
InChIInChI=1S/C13H27P.2C3H7O.CH5P.Ti/c1-10(2)13(11(3)4)8-6-7-12(9-13)14-5;2*1-3(2)4;1-2;/h10-12,14H,6-9H2,1-5H3;2*3H,1-2H3;2H2,1H3;/q;2*-1;;+2
InChIKeyHYYHAKYLJXEUTD-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.53
Rot. Bonds3

About [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)

[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+) (PubChem CID 173290139) has the molecular formula C20H46O2P2Ti and a molecular weight of 428.40 g/mol. Its IUPAC name is [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+).

Molecular Properties

Compound Name[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)
PubChem CID173290139
Molecular FormulaC20H46O2P2Ti
Molecular Weight428.40 g/mol
Exact Mass428.25
IUPAC Name[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)
SMILESCC(C)[O-].CC(C)[O-].CP.CPC1CCCC(C(C)C)(C(C)C)C1.[Ti+2]
InChIInChI=1S/C13H27P.2C3H7O.CH5P.Ti/c1-10(2)13(11(3)4)8-6-7-12(9-13)14-5;2*1-3(2)4;1-2;/h10-12,14H,6-9H2,1-5H3;2*3H,1-2H3;2H2,1H3;/q;2*-1;;+2
InChIKeyHYYHAKYLJXEUTD-UHFFFAOYSA-N
XLogP4.53
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)?
The IUPAC name of [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+) (CID 173290139) is [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+).
What is the SMILES notation for [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)?
The canonical SMILES for [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+) is CC(C)[O-].CC(C)[O-].CP.CPC1CCCC(C(C)C)(C(C)C)C1.[Ti+2].
What is the InChIKey of [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)?
The InChIKey is HYYHAKYLJXEUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P.2C3H7O.CH5P.Ti/c1-10(2)13(11(3)4)8-6-7-12(9-13)14-5;2*1-3(2)4;1-2;/h10-12,14H,6-9H2,1-5H3;2*3H,1-2H3;2H2,1H3;/q;2*-1;;+2.
What are the key properties of [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+)?
[3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+) has a molecular weight of 428.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-di(propan-2-yl)cyclohexyl]-methylphosphane;methylphosphane;bis(propan-2-olate);titanium(2+) is sourced from PubChem (CID 173290139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).