cyclohexane;methanol;titanium

C8H20O2Ti — CID 174712224

IUPACcyclohexane;methanol;titanium
SMILESC1CCCCC1.CO.CO.[Ti]
InChIInChI=1S/C6H12.2CH4O.Ti/c1-2-4-6-5-3-1;2*1-2;/h1-6H2;2*2H,1H3;
InChIKeyNBWBSSIVWGRZMU-UHFFFAOYSA-N
MW196.11 g/mol
LogP1.56
Rot. Bonds

About cyclohexane;methanol;titanium

cyclohexane;methanol;titanium (PubChem CID 174712224) has the molecular formula C8H20O2Ti and a molecular weight of 196.11 g/mol. Its IUPAC name is cyclohexane;methanol;titanium.

Molecular Properties

Compound Namecyclohexane;methanol;titanium
PubChem CID174712224
Molecular FormulaC8H20O2Ti
Molecular Weight196.11 g/mol
Exact Mass196.09
IUPAC Namecyclohexane;methanol;titanium
SMILESC1CCCCC1.CO.CO.[Ti]
InChIInChI=1S/C6H12.2CH4O.Ti/c1-2-4-6-5-3-1;2*1-2;/h1-6H2;2*2H,1H3;
InChIKeyNBWBSSIVWGRZMU-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;methanol;titanium?
The IUPAC name of cyclohexane;methanol;titanium (CID 174712224) is cyclohexane;methanol;titanium.
What is the SMILES notation for cyclohexane;methanol;titanium?
The canonical SMILES for cyclohexane;methanol;titanium is C1CCCCC1.CO.CO.[Ti].
What is the InChIKey of cyclohexane;methanol;titanium?
The InChIKey is NBWBSSIVWGRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2CH4O.Ti/c1-2-4-6-5-3-1;2*1-2;/h1-6H2;2*2H,1H3;.
What are the key properties of cyclohexane;methanol;titanium?
cyclohexane;methanol;titanium has a molecular weight of 196.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methanol;titanium is sourced from PubChem (CID 174712224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).