octan-1-ol;titanium;trihydrate

C8H24O4Ti2 — CID 87862444

IUPACoctan-1-ol;titanium;trihydrate
SMILESCCCCCCCCO.O.O.O.[Ti].[Ti]
InChIInChI=1S/C8H18O.3H2O.2Ti/c1-2-3-4-5-6-7-8-9;;;;;/h9H,2-8H2,1H3;3*1H2;;
InChIKeyWXJSCKLIUALPJQ-UHFFFAOYSA-N
MW280.01 g/mol
LogP-0.14
Rot. Bonds6

About octan-1-ol;titanium;trihydrate

octan-1-ol;titanium;trihydrate (PubChem CID 87862444) has the molecular formula C8H24O4Ti2 and a molecular weight of 280.01 g/mol. Its IUPAC name is octan-1-ol;titanium;trihydrate.

Molecular Properties

Compound Nameoctan-1-ol;titanium;trihydrate
PubChem CID87862444
Molecular FormulaC8H24O4Ti2
Molecular Weight280.01 g/mol
Exact Mass280.06
IUPAC Nameoctan-1-ol;titanium;trihydrate
SMILESCCCCCCCCO.O.O.O.[Ti].[Ti]
InChIInChI=1S/C8H18O.3H2O.2Ti/c1-2-3-4-5-6-7-8-9;;;;;/h9H,2-8H2,1H3;3*1H2;;
InChIKeyWXJSCKLIUALPJQ-UHFFFAOYSA-N
XLogP-0.14
TPSA114.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.01
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze octan-1-ol;titanium;trihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
azane;decan-1-ol;hydrate
CID 174925863
hexan-1-ol;hydrate;hydrochloride
CID 86720799
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of octan-1-ol;titanium;trihydrate?
The IUPAC name of octan-1-ol;titanium;trihydrate (CID 87862444) is octan-1-ol;titanium;trihydrate.
What is the SMILES notation for octan-1-ol;titanium;trihydrate?
The canonical SMILES for octan-1-ol;titanium;trihydrate is CCCCCCCCO.O.O.O.[Ti].[Ti].
What is the InChIKey of octan-1-ol;titanium;trihydrate?
The InChIKey is WXJSCKLIUALPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.3H2O.2Ti/c1-2-3-4-5-6-7-8-9;;;;;/h9H,2-8H2,1H3;3*1H2;;.
What are the key properties of octan-1-ol;titanium;trihydrate?
octan-1-ol;titanium;trihydrate has a molecular weight of 280.01 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;titanium;trihydrate is sourced from PubChem (CID 87862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).