cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)

C20H42N3OTi-2 — CID 173140751

IUPACcyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[CH2-]COC.[Ti+3]
InChIInChI=1S/C5H5.3C4H10N.C3H7O.Ti/c1-2-4-5-3-1;3*1-3-5-4-2;1-3-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;1,3H2,2H3;/q5*-1;+3
InChIKeyQNXOSNBSKXSGTF-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.97
Rot. Bonds7

About cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)

cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+) (PubChem CID 173140751) has the molecular formula C20H42N3OTi-2 and a molecular weight of 388.44 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)
PubChem CID173140751
Molecular FormulaC20H42N3OTi-2
Molecular Weight388.44 g/mol
Exact Mass388.28
IUPAC Namecyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[CH2-]COC.[Ti+3]
InChIInChI=1S/C5H5.3C4H10N.C3H7O.Ti/c1-2-4-5-3-1;3*1-3-5-4-2;1-3-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;1,3H2,2H3;/q5*-1;+3
InChIKeyQNXOSNBSKXSGTF-UHFFFAOYSA-N
XLogP5.97
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);propane;titanium(4+)
CID 21256119
cyclopenta-1,3-diene;platinum;propane
CID 175387408
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
cyclopenta-1,3-diene;methyl acetate;titanium(3+);trichloride
CID 173140653
carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257
chloromethane;cyclopenta-1,3-diene;tungsten(2+)
CID 175390144
butane;bis(cyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87126430
cyclopenta-1,3-diene;bis(methanidyl(trimethyl)silane);titanium(3+)
CID 173151903
bis(cyclopenta-1,3-diene);methyl hypochlorite;titanium(2+)
CID 87327815
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;tris(dimethylazanide);hafnium(4+)
CID 87349857

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)?
The IUPAC name of cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+) (CID 173140751) is cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[CH2-]COC.[Ti+3].
What is the InChIKey of cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)?
The InChIKey is QNXOSNBSKXSGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C4H10N.C3H7O.Ti/c1-2-4-5-3-1;3*1-3-5-4-2;1-3-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;1,3H2,2H3;/q5*-1;+3.
What are the key properties of cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+)?
cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+) has a molecular weight of 388.44 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(diethylazanide);methoxyethane;titanium(3+) is sourced from PubChem (CID 173140751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).