4-methylpentan-2-ol;titanium

C6H14OTi — CID 158071265

IUPAC4-methylpentan-2-ol;titanium
SMILESCC(C)CC(C)O.[Ti]
InChIInChI=1S/C6H14O.Ti/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;
InChIKeyFLVQFVOFUXNFFM-UHFFFAOYSA-N
MW150.04 g/mol
LogP1.41
Rot. Bonds2

About 4-methylpentan-2-ol;titanium

4-methylpentan-2-ol;titanium (PubChem CID 158071265) has the molecular formula C6H14OTi and a molecular weight of 150.04 g/mol. Its IUPAC name is 4-methylpentan-2-ol;titanium.

Molecular Properties

Compound Name4-methylpentan-2-ol;titanium
PubChem CID158071265
Molecular FormulaC6H14OTi
Molecular Weight150.04 g/mol
Exact Mass150.05
IUPAC Name4-methylpentan-2-ol;titanium
SMILESCC(C)CC(C)O.[Ti]
InChIInChI=1S/C6H14O.Ti/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;
InChIKeyFLVQFVOFUXNFFM-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.04
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-ol;titanium?
The IUPAC name of 4-methylpentan-2-ol;titanium (CID 158071265) is 4-methylpentan-2-ol;titanium.
What is the SMILES notation for 4-methylpentan-2-ol;titanium?
The canonical SMILES for 4-methylpentan-2-ol;titanium is CC(C)CC(C)O.[Ti].
What is the InChIKey of 4-methylpentan-2-ol;titanium?
The InChIKey is FLVQFVOFUXNFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.Ti/c1-5(2)4-6(3)7;/h5-7H,4H2,1-3H3;.
What are the key properties of 4-methylpentan-2-ol;titanium?
4-methylpentan-2-ol;titanium has a molecular weight of 150.04 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-ol;titanium is sourced from PubChem (CID 158071265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).