2-methyloctane;titanium(4+);trihydroxide

C9H22O3Ti — CID 174186181

IUPAC2-methyloctane;titanium(4+);trihydroxide
SMILES[CH2-]CCCCCC(C)C.[OH-].[OH-].[OH-].[Ti+4]
InChIInChI=1S/C9H19.3H2O.Ti/c1-4-5-6-7-8-9(2)3;;;;/h9H,1,4-8H2,2-3H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyAABMZRUBHQLLQE-UHFFFAOYSA-K
MW226.14 g/mol
LogP2.89
Rot. Bonds5

About 2-methyloctane;titanium(4+);trihydroxide

2-methyloctane;titanium(4+);trihydroxide (PubChem CID 174186181) has the molecular formula C9H22O3Ti and a molecular weight of 226.14 g/mol. Its IUPAC name is 2-methyloctane;titanium(4+);trihydroxide.

Molecular Properties

Compound Name2-methyloctane;titanium(4+);trihydroxide
PubChem CID174186181
Molecular FormulaC9H22O3Ti
Molecular Weight226.14 g/mol
Exact Mass226.10
IUPAC Name2-methyloctane;titanium(4+);trihydroxide
SMILES[CH2-]CCCCCC(C)C.[OH-].[OH-].[OH-].[Ti+4]
InChIInChI=1S/C9H19.3H2O.Ti/c1-4-5-6-7-8-9(2)3;;;;/h9H,1,4-8H2,2-3H3;3*1H2;/q-1;;;;+4/p-3
InChIKeyAABMZRUBHQLLQE-UHFFFAOYSA-K
XLogP2.89
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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2-methylnonane;titanium;hydrate
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tetrakis(2-methylhexane);titanium(4+)
CID 164789244
magnesium;2-methylheptane;propane
CID 140617225
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
magnesium;butane;2-methylheptane
CID 154098905
2-methylpentane;zirconium(4+);trihydroxide
CID 172719510
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
zinc;butane;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;2-methylheptane
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2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 2-methyloctane;titanium(4+);trihydroxide?
The IUPAC name of 2-methyloctane;titanium(4+);trihydroxide (CID 174186181) is 2-methyloctane;titanium(4+);trihydroxide.
What is the SMILES notation for 2-methyloctane;titanium(4+);trihydroxide?
The canonical SMILES for 2-methyloctane;titanium(4+);trihydroxide is [CH2-]CCCCCC(C)C.[OH-].[OH-].[OH-].[Ti+4].
What is the InChIKey of 2-methyloctane;titanium(4+);trihydroxide?
The InChIKey is AABMZRUBHQLLQE-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H19.3H2O.Ti/c1-4-5-6-7-8-9(2)3;;;;/h9H,1,4-8H2,2-3H3;3*1H2;/q-1;;;;+4/p-3.
What are the key properties of 2-methyloctane;titanium(4+);trihydroxide?
2-methyloctane;titanium(4+);trihydroxide has a molecular weight of 226.14 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctane;titanium(4+);trihydroxide is sourced from PubChem (CID 174186181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).