carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)

C16H32O3Ti-3 — CID 22596603

IUPACcarbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H5.3C3H7O.2CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;;/h1-3H,4H2;3*3H,1-2H3;2*1H3;/q6*-1;+3
InChIKeyBGGUKYNDDDAEFD-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.47
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)

carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+) (PubChem CID 22596603) has the molecular formula C16H32O3Ti-3 and a molecular weight of 320.30 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)
PubChem CID22596603
Molecular FormulaC16H32O3Ti-3
Molecular Weight320.30 g/mol
Exact Mass320.18
IUPAC Namecarbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C5H5.3C3H7O.2CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;;/h1-3H,4H2;3*3H,1-2H3;2*1H3;/q6*-1;+3
InChIKeyBGGUKYNDDDAEFD-UHFFFAOYSA-N
XLogP1.47
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;propan-2-ol;zirconium(3+)
CID 22676437
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
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CID 173150447
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+) (CID 22596603) is carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].[C-]1=CC=CC1.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)?
The InChIKey is BGGUKYNDDDAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C3H7O.2CH3.Ti/c1-2-4-5-3-1;3*1-3(2)4;;;/h1-3H,4H2;3*3H,1-2H3;2*1H3;/q6*-1;+3.
What are the key properties of carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)?
carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+) has a molecular weight of 320.30 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+) is sourced from PubChem (CID 22596603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).