bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)

C14H30O4Ti — CID 170840898

IUPACbis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)
SMILESCC([O-])CC(C)(C)[O-].CCCC[O-].CCCC[O-].[Ti+4]
InChIInChI=1S/C6H12O2.2C4H9O.Ti/c1-5(7)4-6(2,3)8;2*1-2-3-4-5;/h5H,4H2,1-3H3;2*2-4H2,1H3;/q-2;2*-1;+4
InChIKeySRLDYDZVUGHQGT-UHFFFAOYSA-N
MW310.26 g/mol
LogP-0.44
Rot. Bonds6

About bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)

bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+) (PubChem CID 170840898) has the molecular formula C14H30O4Ti and a molecular weight of 310.26 g/mol. Its IUPAC name is bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+).

Molecular Properties

Compound Namebis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)
PubChem CID170840898
Molecular FormulaC14H30O4Ti
Molecular Weight310.26 g/mol
Exact Mass310.16
IUPAC Namebis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)
SMILESCC([O-])CC(C)(C)[O-].CCCC[O-].CCCC[O-].[Ti+4]
InChIInChI=1S/C6H12O2.2C4H9O.Ti/c1-5(7)4-6(2,3)8;2*1-2-3-4-5;/h5H,4H2,1-3H3;2*2-4H2,1H3;/q-2;2*-1;+4
InChIKeySRLDYDZVUGHQGT-UHFFFAOYSA-N
XLogP-0.44
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(butan-1-olate);2-methylpentane-2,4-diolate;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

Titanium(4+) bis[2-methylpentane-2,4-bis(olate)]
CID 21124890
Aluminium hydrogen 2-methylpentane-2,4-bis(olate) (1/3/3)
CID 138397284
2-Methylpentane-2,4-diol;bis(propan-2-ol);titanium
CID 170845427
2-Methylpentane-2,4-diolate
CID 12685362
2,4-Dimethoxy-2-methylpentane
CID 19080490
2-Methyl-2-propan-2-ylperoxypentane
CID 22186447
(4S)-2-ethoxy-4-methoxy-2-methylpentane
CID 88904726
2,4-Dimethyl-2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yloxypentane
CID 89805873
2-Methyl-2,4-bis[(2-methylpropan-2-yl)oxy]pentane
CID 90464175
2,4-Diethoxy-2-methylpentane
CID 123763060
2-Butoxy-2-methyl-4-propan-2-yloxypentane
CID 123800314
2-Tert-butylperoxy-4-(4-tert-butylperoxy-4-methylpentan-2-yl)peroxy-2-methylpentane
CID 145797618

Frequently Asked Questions

What is the IUPAC name of bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)?
The IUPAC name of bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+) (CID 170840898) is bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+).
What is the SMILES notation for bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)?
The canonical SMILES for bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+) is CC([O-])CC(C)(C)[O-].CCCC[O-].CCCC[O-].[Ti+4].
What is the InChIKey of bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)?
The InChIKey is SRLDYDZVUGHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2C4H9O.Ti/c1-5(7)4-6(2,3)8;2*1-2-3-4-5;/h5H,4H2,1-3H3;2*2-4H2,1H3;/q-2;2*-1;+4.
What are the key properties of bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+)?
bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+) has a molecular weight of 310.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-olate);2-methylpentane-2,4-diolate;titanium(4+) is sourced from PubChem (CID 170840898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).