bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium

C14H36O4Ti — CID 22628754

IUPACbis(2-methylpropan-1-ol);bis(propan-2-ol);titanium
SMILESCC(C)CO.CC(C)CO.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/2C4H10O.2C3H8O.Ti/c2*1-4(2)3-5;2*1-3(2)4;/h2*4-5H,3H2,1-2H3;2*3-4H,1-2H3;
InChIKeyDCPSBEKFKKFQFQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.04
Rot. Bonds2

About bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium

bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium (PubChem CID 22628754) has the molecular formula C14H36O4Ti and a molecular weight of 316.31 g/mol. Its IUPAC name is bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium.

Molecular Properties

Compound Namebis(2-methylpropan-1-ol);bis(propan-2-ol);titanium
PubChem CID22628754
Molecular FormulaC14H36O4Ti
Molecular Weight316.31 g/mol
Exact Mass316.21
IUPAC Namebis(2-methylpropan-1-ol);bis(propan-2-ol);titanium
SMILESCC(C)CO.CC(C)CO.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/2C4H10O.2C3H8O.Ti/c2*1-4(2)3-5;2*1-3(2)4;/h2*4-5H,3H2,1-2H3;2*3-4H,1-2H3;
InChIKeyDCPSBEKFKKFQFQ-UHFFFAOYSA-N
XLogP2.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium?
The IUPAC name of bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium (CID 22628754) is bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium.
What is the SMILES notation for bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium?
The canonical SMILES for bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium is CC(C)CO.CC(C)CO.CC(C)O.CC(C)O.[Ti].
What is the InChIKey of bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium?
The InChIKey is DCPSBEKFKKFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.2C3H8O.Ti/c2*1-4(2)3-5;2*1-3(2)4;/h2*4-5H,3H2,1-2H3;2*3-4H,1-2H3;.
What are the key properties of bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium?
bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium has a molecular weight of 316.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium is sourced from PubChem (CID 22628754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).