2-methylnonane;titanium;hydrate

C10H23OTi- — CID 174186153

IUPAC2-methylnonane;titanium;hydrate
SMILESO.[CH2-]CCCCCCC(C)C.[Ti]
InChIInChI=1S/C10H21.H2O.Ti/c1-4-5-6-7-8-9-10(2)3;;/h10H,1,4-9H2,2-3H3;1H2;/q-1;;
InChIKeyUOZVHDVYWYZXKT-UHFFFAOYSA-N
MW207.16 g/mol
LogP2.99
Rot. Bonds6

About 2-methylnonane;titanium;hydrate

2-methylnonane;titanium;hydrate (PubChem CID 174186153) has the molecular formula C10H23OTi- and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-methylnonane;titanium;hydrate.

Molecular Properties

Compound Name2-methylnonane;titanium;hydrate
PubChem CID174186153
Molecular FormulaC10H23OTi-
Molecular Weight207.16 g/mol
Exact Mass207.12
IUPAC Name2-methylnonane;titanium;hydrate
SMILESO.[CH2-]CCCCCCC(C)C.[Ti]
InChIInChI=1S/C10H21.H2O.Ti/c1-4-5-6-7-8-9-10(2)3;;/h10H,1,4-9H2,2-3H3;1H2;/q-1;;
InChIKeyUOZVHDVYWYZXKT-UHFFFAOYSA-N
XLogP2.99
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

tris(2-methylheptadecane);titanium(3+)
CID 23174974
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
cobalt;2-methylheptane
CID 170567086
magnesium;2-methylheptane;propane
CID 140617225
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
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-methyltricosane;hydrate
CID 172783998
bis(2-methylpentane);titanium(2+);hydrate
CID 175523357
16-methylheptadecan-1-ol;titanium
CID 151630620
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388

Frequently Asked Questions

What is the IUPAC name of 2-methylnonane;titanium;hydrate?
The IUPAC name of 2-methylnonane;titanium;hydrate (CID 174186153) is 2-methylnonane;titanium;hydrate.
What is the SMILES notation for 2-methylnonane;titanium;hydrate?
The canonical SMILES for 2-methylnonane;titanium;hydrate is O.[CH2-]CCCCCCC(C)C.[Ti].
What is the InChIKey of 2-methylnonane;titanium;hydrate?
The InChIKey is UOZVHDVYWYZXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21.H2O.Ti/c1-4-5-6-7-8-9-10(2)3;;/h10H,1,4-9H2,2-3H3;1H2;/q-1;;.
What are the key properties of 2-methylnonane;titanium;hydrate?
2-methylnonane;titanium;hydrate has a molecular weight of 207.16 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonane;titanium;hydrate is sourced from PubChem (CID 174186153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).