decane;ethanol;titanium

C16H39O3Ti- — CID 141397996

IUPACdecane;ethanol;titanium
SMILESCCO.CCO.CCO.[CH2-]CCCCCCCCC.[Ti]
InChIInChI=1S/C10H21.3C2H6O.Ti/c1-3-5-7-9-10-8-6-4-2;3*1-2-3;/h1,3-10H2,2H3;3*3H,2H2,1H3;/q-1;;;;
InChIKeyRANZZNGMZXQEKP-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.95
Rot. Bonds7

About decane;ethanol;titanium

decane;ethanol;titanium (PubChem CID 141397996) has the molecular formula C16H39O3Ti- and a molecular weight of 327.35 g/mol. Its IUPAC name is decane;ethanol;titanium.

Molecular Properties

Compound Namedecane;ethanol;titanium
PubChem CID141397996
Molecular FormulaC16H39O3Ti-
Molecular Weight327.35 g/mol
Exact Mass327.24
IUPAC Namedecane;ethanol;titanium
SMILESCCO.CCO.CCO.[CH2-]CCCCCCCCC.[Ti]
InChIInChI=1S/C10H21.3C2H6O.Ti/c1-3-5-7-9-10-8-6-4-2;3*1-2-3;/h1,3-10H2,2H3;3*3H,2H2,1H3;/q-1;;;;
InChIKeyRANZZNGMZXQEKP-UHFFFAOYSA-N
XLogP3.95
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.95
H-Bond Donors ≤ 53
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

methanol;octadecane;titanium
CID 87743640
ethanol;bis(hexane);zirconium(2+)
CID 11696018
octadecane;titanium;hydrate
CID 87575322
heptadecane
CID 156905849
bis(octane);zinc
CID 175041964
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
cerium;dodecane
CID 154114371
tris(heptane);vanadium
CID 59340167
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032

Frequently Asked Questions

What is the IUPAC name of decane;ethanol;titanium?
The IUPAC name of decane;ethanol;titanium (CID 141397996) is decane;ethanol;titanium.
What is the SMILES notation for decane;ethanol;titanium?
The canonical SMILES for decane;ethanol;titanium is CCO.CCO.CCO.[CH2-]CCCCCCCCC.[Ti].
What is the InChIKey of decane;ethanol;titanium?
The InChIKey is RANZZNGMZXQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21.3C2H6O.Ti/c1-3-5-7-9-10-8-6-4-2;3*1-2-3;/h1,3-10H2,2H3;3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of decane;ethanol;titanium?
decane;ethanol;titanium has a molecular weight of 327.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethanol;titanium is sourced from PubChem (CID 141397996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).