2-methylpentane-2,4-diol;bis(propan-2-ol);titanium

C12H30O4Ti — CID 170845427

IUPAC2-methylpentane-2,4-diol;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(O)CC(C)(C)O.[Ti]
InChIInChI=1S/C6H14O2.2C3H8O.Ti/c1-5(7)4-6(2,3)8;2*1-3(2)4;/h5,7-8H,4H2,1-3H3;2*3-4H,1-2H3;
InChIKeyAIYWVCNVPURTSZ-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.30
Rot. Bonds2

About 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium

2-methylpentane-2,4-diol;bis(propan-2-ol);titanium (PubChem CID 170845427) has the molecular formula C12H30O4Ti and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium.

Molecular Properties

Compound Name2-methylpentane-2,4-diol;bis(propan-2-ol);titanium
PubChem CID170845427
Molecular FormulaC12H30O4Ti
Molecular Weight286.24 g/mol
Exact Mass286.16
IUPAC Name2-methylpentane-2,4-diol;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(O)CC(C)(C)O.[Ti]
InChIInChI=1S/C6H14O2.2C3H8O.Ti/c1-5(7)4-6(2,3)8;2*1-3(2)4;/h5,7-8H,4H2,1-3H3;2*3-4H,1-2H3;
InChIKeyAIYWVCNVPURTSZ-UHFFFAOYSA-N
XLogP1.30
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium?
The IUPAC name of 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium (CID 170845427) is 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium.
What is the SMILES notation for 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium?
The canonical SMILES for 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(O)CC(C)(C)O.[Ti].
What is the InChIKey of 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium?
The InChIKey is AIYWVCNVPURTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2C3H8O.Ti/c1-5(7)4-6(2,3)8;2*1-3(2)4;/h5,7-8H,4H2,1-3H3;2*3-4H,1-2H3;.
What are the key properties of 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium?
2-methylpentane-2,4-diol;bis(propan-2-ol);titanium has a molecular weight of 286.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2,4-diol;bis(propan-2-ol);titanium is sourced from PubChem (CID 170845427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).