cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium

C30H52P2Ti-6 — CID 90109671

IUPACcyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium
SMILESCCCCCP(CCCCC)c1ccc[c-]1P(CCCCC)CCCCC.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C25H47P2.C5H5.Ti/c1-5-9-13-20-26(21-14-10-6-2)24-18-17-19-25(24)27(22-15-11-7-3)23-16-12-8-4;1-2-4-5-3-1;/h17-19H,5-16,20-23H2,1-4H3;1-5H;/q-1;-5;
InChIKeyCOLLRFRBSFULAD-UHFFFAOYSA-N
MW522.56 g/mol
LogP9.78
Rot. Bonds18

About cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium

cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium (PubChem CID 90109671) has the molecular formula C30H52P2Ti-6 and a molecular weight of 522.56 g/mol. Its IUPAC name is cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium.

Molecular Properties

Compound Namecyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium
PubChem CID90109671
Molecular FormulaC30H52P2Ti-6
Molecular Weight522.56 g/mol
Exact Mass522.31
IUPAC Namecyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium
SMILESCCCCCP(CCCCC)c1ccc[c-]1P(CCCCC)CCCCC.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C25H47P2.C5H5.Ti/c1-5-9-13-20-26(21-14-10-6-2)24-18-17-19-25(24)27(22-15-11-7-3)23-16-12-8-4;1-2-4-5-3-1;/h17-19H,5-16,20-23H2,1-4H3;1-5H;/q-1;-5;
InChIKeyCOLLRFRBSFULAD-UHFFFAOYSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.56
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;(2-dioctylphosphanylcyclopenta-2,4-dien-1-yl)-dioctylphosphane;titanium
CID 90109233
cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;hafnium
CID 90108893
cyclopentane;(2-dioctylphosphanylcyclopenta-2,4-dien-1-yl)-dioctylphosphane;iron
CID 90111916
cyclopentane;(2-dihexylphosphanylcyclopenta-2,4-dien-1-yl)-dihexylphosphane;ruthenium
CID 90110535
dipentyl(phenyl)phosphane
CID 3085487
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
(2-methylphenyl)-dioctylphosphane
CID 70128590
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101
cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
CID 173056293
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
cyclopentane;iron;1-(2-octadecanoylcyclopenta-2,4-dien-1-yl)octadecan-1-one
CID 174342086
cyclopentane;1,5-dibutylcyclopenta-1,3-diene;iron
CID 173322079

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium?
The IUPAC name of cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium (CID 90109671) is cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium.
What is the SMILES notation for cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium?
The canonical SMILES for cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium is CCCCCP(CCCCC)c1ccc[c-]1P(CCCCC)CCCCC.[Ti].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium?
The InChIKey is COLLRFRBSFULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47P2.C5H5.Ti/c1-5-9-13-20-26(21-14-10-6-2)24-18-17-19-25(24)27(22-15-11-7-3)23-16-12-8-4;1-2-4-5-3-1;/h17-19H,5-16,20-23H2,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium?
cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium has a molecular weight of 522.56 g/mol, XLogP of 9.78, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(2-dipentylphosphanylcyclopenta-2,4-dien-1-yl)-dipentylphosphane;titanium is sourced from PubChem (CID 90109671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).