butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)

C15H22OTi — CID 161490731

IUPACbutan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)
SMILESCCCC[O-].[CH3-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H9O.CH3.Ti/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;2-4H2,1H3;1H3;/q4*-1;+4
InChIKeyWFOMLNVDALCWQV-UHFFFAOYSA-N
MW266.21 g/mol
LogP3.41
Rot. Bonds2

About butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)

butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) (PubChem CID 161490731) has the molecular formula C15H22OTi and a molecular weight of 266.21 g/mol. Its IUPAC name is butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+).

Molecular Properties

Compound Namebutan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)
PubChem CID161490731
Molecular FormulaC15H22OTi
Molecular Weight266.21 g/mol
Exact Mass266.12
IUPAC Namebutan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)
SMILESCCCC[O-].[CH3-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H9O.CH3.Ti/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;2-4H2,1H3;1H3;/q4*-1;+4
InChIKeyWFOMLNVDALCWQV-UHFFFAOYSA-N
XLogP3.41
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622
barium(2+);hexakis(butan-1-olate);titanium(4+)
CID 159496938
tris(butan-1-olate);propane;titanium(4+)
CID 159398843
tris(butan-1-olate);niobium(3+)
CID 161059025
CID 22242269
CID 22242269
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);yttrium(3+)
CID 11536856

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)?
The IUPAC name of butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) (CID 161490731) is butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+).
What is the SMILES notation for butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)?
The canonical SMILES for butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) is CCCC[O-].[CH3-].[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)?
The InChIKey is WFOMLNVDALCWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H9O.CH3.Ti/c2*1-2-4-5-3-1;1-2-3-4-5;;/h2*1-5H;2-4H2,1H3;1H3;/q4*-1;+4.
What are the key properties of butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)?
butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) has a molecular weight of 266.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+) is sourced from PubChem (CID 161490731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).