acetate;pentadecane;titanium(2+)

C17H33O2Ti- — CID 175720052

IUPACacetate;pentadecane;titanium(2+)
SMILES[CH2-]C(=O)[O-].[CH2-]CCCCCCCCCCCCCC.[Ti+2]
InChIInChI=1S/C15H31.C2H3O2.Ti/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2(3)4;/h1,3-15H2,2H3;1H2,(H,3,4);/q2*-1;+2/p-1
InChIKeyNQALNNNLLWXHFO-UHFFFAOYSA-M
MW317.32 g/mol
LogP4.48
Rot. Bonds12

About acetate;pentadecane;titanium(2+)

acetate;pentadecane;titanium(2+) (PubChem CID 175720052) has the molecular formula C17H33O2Ti- and a molecular weight of 317.32 g/mol. Its IUPAC name is acetate;pentadecane;titanium(2+).

Molecular Properties

Compound Nameacetate;pentadecane;titanium(2+)
PubChem CID175720052
Molecular FormulaC17H33O2Ti-
Molecular Weight317.32 g/mol
Exact Mass317.20
IUPAC Nameacetate;pentadecane;titanium(2+)
SMILES[CH2-]C(=O)[O-].[CH2-]CCCCCCCCCCCCCC.[Ti+2]
InChIInChI=1S/C15H31.C2H3O2.Ti/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2(3)4;/h1,3-15H2,2H3;1H2,(H,3,4);/q2*-1;+2/p-1
InChIKeyNQALNNNLLWXHFO-UHFFFAOYSA-M
XLogP4.48
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

trisodium;butanedioate;dodecane
CID 160502999
heptadecane
CID 156905849
methanol;octadecane;titanium
CID 87743640
sodium;dodecane;propanedioic acid
CID 174969045
zinc;pentadecane;prop-1-en-2-olate
CID 175933455
(E)-but-2-enedioic acid;gold(1+);octadecane
CID 162691149
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032
sodium tritriacontane
CID 150964196

Frequently Asked Questions

What is the IUPAC name of acetate;pentadecane;titanium(2+)?
The IUPAC name of acetate;pentadecane;titanium(2+) (CID 175720052) is acetate;pentadecane;titanium(2+).
What is the SMILES notation for acetate;pentadecane;titanium(2+)?
The canonical SMILES for acetate;pentadecane;titanium(2+) is [CH2-]C(=O)[O-].[CH2-]CCCCCCCCCCCCCC.[Ti+2].
What is the InChIKey of acetate;pentadecane;titanium(2+)?
The InChIKey is NQALNNNLLWXHFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31.C2H3O2.Ti/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2(3)4;/h1,3-15H2,2H3;1H2,(H,3,4);/q2*-1;+2/p-1.
What are the key properties of acetate;pentadecane;titanium(2+)?
acetate;pentadecane;titanium(2+) has a molecular weight of 317.32 g/mol, XLogP of 4.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetate;pentadecane;titanium(2+) is sourced from PubChem (CID 175720052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).