buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)

C17H32N2Ti — CID 19035409

IUPACbuta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)
SMILESC=CC=C.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C5H5.C4H9.C4H6.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;1-3-4-2;2*1-3-2;/h1-3H,4H2;1-3H3;3-4H,1-2H2;2*1-2H3;/q2*-1;;2*-1;+4
InChIKeyRJQARYJXVUEZPD-UHFFFAOYSA-N
MW312.32 g/mol
LogP5.52
Rot. Bonds1

About buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)

buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+) (PubChem CID 19035409) has the molecular formula C17H32N2Ti and a molecular weight of 312.32 g/mol. Its IUPAC name is buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+).

Molecular Properties

Compound Namebuta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)
PubChem CID19035409
Molecular FormulaC17H32N2Ti
Molecular Weight312.32 g/mol
Exact Mass312.20
IUPAC Namebuta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)
SMILESC=CC=C.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4]
InChIInChI=1S/C5H5.C4H9.C4H6.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;1-3-4-2;2*1-3-2;/h1-3H,4H2;1-3H3;3-4H,1-2H2;2*1-2H3;/q2*-1;;2*-1;+4
InChIKeyRJQARYJXVUEZPD-UHFFFAOYSA-N
XLogP5.52
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.32
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+)
CID 19035435
cyclopenta-1,3-diene;bis(dimethylazanide);3-methylpenta-1,3-diene;2-methylpropane;titanium(4+)
CID 173316383
cyclopenta-1,3-diene;2-methylpropane;platinum(2+)
CID 18961426
cyclopenta-1,3-diene;tris(dimethylazanide);hafnium(4+)
CID 87349857
cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
CID 175602961
cyclopenta-1,3-diene;dimethylazanide;zirconium(4+);dichloride
CID 23363187
CID 18766778
CID 18766778
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
cobalt;cyclopenta-1,3-diene;ethene
CID 173205523
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)?
The IUPAC name of buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+) (CID 19035409) is buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+).
What is the SMILES notation for buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)?
The canonical SMILES for buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+) is C=CC=C.C[C-](C)C.C[N-]C.C[N-]C.[C-]1=CC=CC1.[Ti+4].
What is the InChIKey of buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)?
The InChIKey is RJQARYJXVUEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9.C4H6.2C2H6N.Ti/c1-2-4-5-3-1;1-4(2)3;1-3-4-2;2*1-3-2;/h1-3H,4H2;1-3H3;3-4H,1-2H2;2*1-2H3;/q2*-1;;2*-1;+4.
What are the key properties of buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)?
buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+) has a molecular weight of 312.32 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+) is sourced from PubChem (CID 19035409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).