tetradecaneperoxoic acid;titanium

C14H28O3Ti — CID 87908201

IUPACtetradecaneperoxoic acid;titanium
SMILESCCCCCCCCCCCCCC(=O)OO.[Ti]
InChIInChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)17-16;/h16H,2-13H2,1H3;
InChIKeyRGUKFRZSQANIRN-UHFFFAOYSA-N
MW292.24 g/mol
LogP4.70
Rot. Bonds12

About tetradecaneperoxoic acid;titanium

tetradecaneperoxoic acid;titanium (PubChem CID 87908201) has the molecular formula C14H28O3Ti and a molecular weight of 292.24 g/mol. Its IUPAC name is tetradecaneperoxoic acid;titanium.

Molecular Properties

Compound Nametetradecaneperoxoic acid;titanium
PubChem CID87908201
Molecular FormulaC14H28O3Ti
Molecular Weight292.24 g/mol
Exact Mass292.15
IUPAC Nametetradecaneperoxoic acid;titanium
SMILESCCCCCCCCCCCCCC(=O)OO.[Ti]
InChIInChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)17-16;/h16H,2-13H2,1H3;
InChIKeyRGUKFRZSQANIRN-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
lithium;hydride;octadecaneperoxoic acid
CID 173037900
magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
hydroxy(dimethyl)silane;octadecaneperoxoic acid
CID 175440120
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455
hexane-1,2,3,4,5,6-hexol;octadecaneperoxoic acid
CID 174464487
dodecanoyl dodecanoate;ethanol
CID 157135932
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of tetradecaneperoxoic acid;titanium?
The IUPAC name of tetradecaneperoxoic acid;titanium (CID 87908201) is tetradecaneperoxoic acid;titanium.
What is the SMILES notation for tetradecaneperoxoic acid;titanium?
The canonical SMILES for tetradecaneperoxoic acid;titanium is CCCCCCCCCCCCCC(=O)OO.[Ti].
What is the InChIKey of tetradecaneperoxoic acid;titanium?
The InChIKey is RGUKFRZSQANIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)17-16;/h16H,2-13H2,1H3;.
What are the key properties of tetradecaneperoxoic acid;titanium?
tetradecaneperoxoic acid;titanium has a molecular weight of 292.24 g/mol, XLogP of 4.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecaneperoxoic acid;titanium is sourced from PubChem (CID 87908201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).