pentan-1-olate;titanium(3+);dichloride

C5H11Cl2OTi — CID 170847370

IUPACpentan-1-olate;titanium(3+);dichloride
SMILESCCCCC[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11O.2ClH.Ti/c1-2-3-4-5-6;;;/h2-5H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyZUFZCBQCHSPQPC-UHFFFAOYSA-L
MW205.91 g/mol
LogP-5.46
Rot. Bonds3

About pentan-1-olate;titanium(3+);dichloride

pentan-1-olate;titanium(3+);dichloride (PubChem CID 170847370) has the molecular formula C5H11Cl2OTi and a molecular weight of 205.91 g/mol. Its IUPAC name is pentan-1-olate;titanium(3+);dichloride.

Molecular Properties

Compound Namepentan-1-olate;titanium(3+);dichloride
PubChem CID170847370
Molecular FormulaC5H11Cl2OTi
Molecular Weight205.91 g/mol
Exact Mass204.97
IUPAC Namepentan-1-olate;titanium(3+);dichloride
SMILESCCCCC[O-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H11O.2ClH.Ti/c1-2-3-4-5-6;;;/h2-5H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyZUFZCBQCHSPQPC-UHFFFAOYSA-L
XLogP-5.46
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.91
LogP ≤ 5-5.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Amylhypochlorit
CID 13752034
Chloro(pentyloxy)magnesium
CID 113484
Magnesium;pentan-1-olate;chloride
CID 57357122
CID 5486000
CID 5486000
Pentan-1-olate
CID 13076479
Butan-1-olate;trichlorotitanium(1+)
CID 14420830
Trichloro(pentoxy)stannane
CID 17997459
Pentoxyaluminum(2+) dichloride
CID 19936988
CID 88416079
CID 88416079
CID 88416267
CID 88416267
Pentyl hypochlorite;vanadium
CID 88841414
Butan-1-olate;titanium(2+);chloride
CID 101654174

Frequently Asked Questions

What is the IUPAC name of pentan-1-olate;titanium(3+);dichloride?
The IUPAC name of pentan-1-olate;titanium(3+);dichloride (CID 170847370) is pentan-1-olate;titanium(3+);dichloride.
What is the SMILES notation for pentan-1-olate;titanium(3+);dichloride?
The canonical SMILES for pentan-1-olate;titanium(3+);dichloride is CCCCC[O-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of pentan-1-olate;titanium(3+);dichloride?
The InChIKey is ZUFZCBQCHSPQPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11O.2ClH.Ti/c1-2-3-4-5-6;;;/h2-5H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of pentan-1-olate;titanium(3+);dichloride?
pentan-1-olate;titanium(3+);dichloride has a molecular weight of 205.91 g/mol, XLogP of -5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-olate;titanium(3+);dichloride is sourced from PubChem (CID 170847370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).