butan-1-olate;trichlorotitanium(1+)

C4H9Cl3OTi — CID 14420830

IUPACbutan-1-olate;trichlorotitanium(1+)
SMILESCCCC[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C4H9O.3ClH.Ti/c1-2-3-4-5;;;;/h2-4H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDEFMLLQRTVNBOF-UHFFFAOYSA-K
MW227.34 g/mol
LogP2.21
Rot. Bonds2

About butan-1-olate;trichlorotitanium(1+)

butan-1-olate;trichlorotitanium(1+) (PubChem CID 14420830) has the molecular formula C4H9Cl3OTi and a molecular weight of 227.34 g/mol. Its IUPAC name is butan-1-olate;trichlorotitanium(1+).

Molecular Properties

Compound Namebutan-1-olate;trichlorotitanium(1+)
PubChem CID14420830
Molecular FormulaC4H9Cl3OTi
Molecular Weight227.34 g/mol
Exact Mass225.92
IUPAC Namebutan-1-olate;trichlorotitanium(1+)
SMILESCCCC[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C4H9O.3ClH.Ti/c1-2-3-4-5;;;;/h2-4H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyDEFMLLQRTVNBOF-UHFFFAOYSA-K
XLogP2.21
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butyl hypochlorite
CID 13752033
Bis(butan-1-olate);titanium(4+);dichloride
CID 101970428
2-Methylpropan-1-olate;titanium(3+);dichloride
CID 170847369
Pentan-1-olate;titanium(3+);dichloride
CID 170847370
3-Methylbutan-1-olate;titanium(3+);dichloride
CID 170847371
Butoxy-dichloro-methylstannane
CID 20325212
Butoxy-dichloro-propylstannane
CID 20325224
Butoxyaluminum(2+) dichloride
CID 22339080
Butoxy(trichloro)germane
CID 22476958
Butoxy(trichloro)stannane
CID 22476970
CID 87703259
CID 87703259
CID 87934215
CID 87934215

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;trichlorotitanium(1+)?
The IUPAC name of butan-1-olate;trichlorotitanium(1+) (CID 14420830) is butan-1-olate;trichlorotitanium(1+).
What is the SMILES notation for butan-1-olate;trichlorotitanium(1+)?
The canonical SMILES for butan-1-olate;trichlorotitanium(1+) is CCCC[O-].Cl[Ti+](Cl)Cl.
What is the InChIKey of butan-1-olate;trichlorotitanium(1+)?
The InChIKey is DEFMLLQRTVNBOF-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9O.3ClH.Ti/c1-2-3-4-5;;;;/h2-4H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of butan-1-olate;trichlorotitanium(1+)?
butan-1-olate;trichlorotitanium(1+) has a molecular weight of 227.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;trichlorotitanium(1+) is sourced from PubChem (CID 14420830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).