4-methylpentan-1-ol;titanium;dihydrate

C6H18O3Ti — CID 175523375

IUPAC4-methylpentan-1-ol;titanium;dihydrate
SMILESCC(C)CCCO.O.O.[Ti]
InChIInChI=1S/C6H14O.2H2O.Ti/c1-6(2)4-3-5-7;;;/h6-7H,3-5H2,1-2H3;2*1H2;
InChIKeyDVDDIEJJISRAKL-UHFFFAOYSA-N
MW186.07 g/mol
LogP-0.24
Rot. Bonds3

About 4-methylpentan-1-ol;titanium;dihydrate

4-methylpentan-1-ol;titanium;dihydrate (PubChem CID 175523375) has the molecular formula C6H18O3Ti and a molecular weight of 186.07 g/mol. Its IUPAC name is 4-methylpentan-1-ol;titanium;dihydrate.

Molecular Properties

Compound Name4-methylpentan-1-ol;titanium;dihydrate
PubChem CID175523375
Molecular FormulaC6H18O3Ti
Molecular Weight186.07 g/mol
Exact Mass186.07
IUPAC Name4-methylpentan-1-ol;titanium;dihydrate
SMILESCC(C)CCCO.O.O.[Ti]
InChIInChI=1S/C6H14O.2H2O.Ti/c1-6(2)4-3-5-7;;;/h6-7H,3-5H2,1-2H3;2*1H2;
InChIKeyDVDDIEJJISRAKL-UHFFFAOYSA-N
XLogP-0.24
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
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sodium;hydride;8-methylnonan-1-ol
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5-methylhexanoic acid;4-methylpentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-1-ol;titanium;dihydrate?
The IUPAC name of 4-methylpentan-1-ol;titanium;dihydrate (CID 175523375) is 4-methylpentan-1-ol;titanium;dihydrate.
What is the SMILES notation for 4-methylpentan-1-ol;titanium;dihydrate?
The canonical SMILES for 4-methylpentan-1-ol;titanium;dihydrate is CC(C)CCCO.O.O.[Ti].
What is the InChIKey of 4-methylpentan-1-ol;titanium;dihydrate?
The InChIKey is DVDDIEJJISRAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.2H2O.Ti/c1-6(2)4-3-5-7;;;/h6-7H,3-5H2,1-2H3;2*1H2;.
What are the key properties of 4-methylpentan-1-ol;titanium;dihydrate?
4-methylpentan-1-ol;titanium;dihydrate has a molecular weight of 186.07 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-1-ol;titanium;dihydrate is sourced from PubChem (CID 175523375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).