decan-1-ol;tris(dibutylazanide);titanium(3+)

C34H76N3OTi — CID 21463928

IUPACdecan-1-ol;tris(dibutylazanide);titanium(3+)
SMILESCCCCCCCCCCO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3]
InChIInChI=1S/C10H22O.3C8H18N.Ti/c1-2-3-4-5-6-7-8-9-10-11;3*1-3-5-7-9-8-6-4-2;/h11H,2-10H2,1H3;3*3-8H2,1-2H3;/q;3*-1;+3
InChIKeyYBFNPGGFSFNMSO-UHFFFAOYSA-N
MW590.87 g/mol
LogP12.00
Rot. Bonds26

About decan-1-ol;tris(dibutylazanide);titanium(3+)

decan-1-ol;tris(dibutylazanide);titanium(3+) (PubChem CID 21463928) has the molecular formula C34H76N3OTi and a molecular weight of 590.87 g/mol. Its IUPAC name is decan-1-ol;tris(dibutylazanide);titanium(3+).

Molecular Properties

Compound Namedecan-1-ol;tris(dibutylazanide);titanium(3+)
PubChem CID21463928
Molecular FormulaC34H76N3OTi
Molecular Weight590.87 g/mol
Exact Mass590.55
IUPAC Namedecan-1-ol;tris(dibutylazanide);titanium(3+)
SMILESCCCCCCCCCCO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3]
InChIInChI=1S/C10H22O.3C8H18N.Ti/c1-2-3-4-5-6-7-8-9-10-11;3*1-3-5-7-9-8-6-4-2;/h11H,2-10H2,1H3;3*3-8H2,1-2H3;/q;3*-1;+3
InChIKeyYBFNPGGFSFNMSO-UHFFFAOYSA-N
XLogP12.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.87
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decan-1-ol;tris(dibutylazanide);titanium(3+) 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

10-(Dibutylamino)decan-1-ol
CID 220009
12-(Diethylamino)dodecan-1-ol
CID 22218520
n,n-Dibutylundecanolamine
CID 87317390
11-(Dihexylamino)undecan-1-ol
CID 219366
11-(Dibutylamino)undecan-1-ol
CID 258653
Ethyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 91122577
Hydroxy ethyl methyl hexadecyl amine
CID 129801315
11-hydroxy-N,N,N-trioctylundecan-1-aminium bromide
CID 138374130
9-(Dibutylamino)nonan-1-ol
CID 221533
8-(Dibutylamino)octan-1-ol
CID 221532
15-(Dimethylamino)pentadecan-1-ol
CID 10564067
Triethyl(12-hydroxydodecyl)azanium
CID 10570920

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;tris(dibutylazanide);titanium(3+)?
The IUPAC name of decan-1-ol;tris(dibutylazanide);titanium(3+) (CID 21463928) is decan-1-ol;tris(dibutylazanide);titanium(3+).
What is the SMILES notation for decan-1-ol;tris(dibutylazanide);titanium(3+)?
The canonical SMILES for decan-1-ol;tris(dibutylazanide);titanium(3+) is CCCCCCCCCCO.CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.[Ti+3].
What is the InChIKey of decan-1-ol;tris(dibutylazanide);titanium(3+)?
The InChIKey is YBFNPGGFSFNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.3C8H18N.Ti/c1-2-3-4-5-6-7-8-9-10-11;3*1-3-5-7-9-8-6-4-2;/h11H,2-10H2,1H3;3*3-8H2,1-2H3;/q;3*-1;+3.
What are the key properties of decan-1-ol;tris(dibutylazanide);titanium(3+)?
decan-1-ol;tris(dibutylazanide);titanium(3+) has a molecular weight of 590.87 g/mol, XLogP of 12.00, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;tris(dibutylazanide);titanium(3+) is sourced from PubChem (CID 21463928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).