dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride

C22H29Cl4PTi — CID 159184721

IUPACdec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride
SMILESCCCCC=C(CCCC)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H29P.4ClH.Ti/c1-3-5-9-15-20(14-6-4-2)23(21-16-10-7-11-17-21)22-18-12-8-13-19-22;;;;;/h7-8,10-13,15-19H,3-6,9,14H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyKNIMPQCKIHSFER-UHFFFAOYSA-J
MW514.13 g/mol
LogP-5.60
Rot. Bonds9

About dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride

dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride (PubChem CID 159184721) has the molecular formula C22H29Cl4PTi and a molecular weight of 514.13 g/mol. Its IUPAC name is dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride.

Molecular Properties

Compound Namedec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride
PubChem CID159184721
Molecular FormulaC22H29Cl4PTi
Molecular Weight514.13 g/mol
Exact Mass512.02
IUPAC Namedec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride
SMILESCCCCC=C(CCCC)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H29P.4ClH.Ti/c1-3-5-9-15-20(14-6-4-2)23(21-16-10-7-11-17-21)22-18-12-8-13-19-22;;;;;/h7-8,10-13,15-19H,3-6,9,14H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyKNIMPQCKIHSFER-UHFFFAOYSA-J
XLogP-5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.13
LogP ≤ 5-5.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-diphenylphosphanylnon-2-en-2-yl]-diphenylphosphane
CID 148661683
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
[(Z)-dec-5-en-5-yl]oxybenzene
CID 135061191
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
CID 87086288
hex-1-enyl(diphenyl)phosphane
CID 71345520
1-[(1E,3Z)-2-butyl-3-phenylocta-1,3-dienyl]-4-methylbenzene
CID 10544592
(E)-4-butyl-1-phenylnon-4-en-1-one
CID 12963608
hexa-3,5-dien-3-yl(diphenyl)phosphane
CID 123633252
[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 164669483

Frequently Asked Questions

What is the IUPAC name of dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride?
The IUPAC name of dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride (CID 159184721) is dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride.
What is the SMILES notation for dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride?
The canonical SMILES for dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride is CCCCC=C(CCCC)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride?
The InChIKey is KNIMPQCKIHSFER-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H29P.4ClH.Ti/c1-3-5-9-15-20(14-6-4-2)23(21-16-10-7-11-17-21)22-18-12-8-13-19-22;;;;;/h7-8,10-13,15-19H,3-6,9,14H2,1-2H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride?
dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride has a molecular weight of 514.13 g/mol, XLogP of -5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride is sourced from PubChem (CID 159184721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).