2-hydroxytetradecanoic acid;titanium

C14H28O3Ti — CID 174290276

IUPAC2-hydroxytetradecanoic acid;titanium
SMILESCCCCCCCCCCCCC(O)C(=O)O.[Ti]
InChIInChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h13,15H,2-12H2,1H3,(H,16,17);
InChIKeyYJDCHZFZUHSKLS-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.74
Rot. Bonds12

About 2-hydroxytetradecanoic acid;titanium

2-hydroxytetradecanoic acid;titanium (PubChem CID 174290276) has the molecular formula C14H28O3Ti and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-hydroxytetradecanoic acid;titanium.

Molecular Properties

Compound Name2-hydroxytetradecanoic acid;titanium
PubChem CID174290276
Molecular FormulaC14H28O3Ti
Molecular Weight292.24 g/mol
Exact Mass292.15
IUPAC Name2-hydroxytetradecanoic acid;titanium
SMILESCCCCCCCCCCCCC(O)C(=O)O.[Ti]
InChIInChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h13,15H,2-12H2,1H3,(H,16,17);
InChIKeyYJDCHZFZUHSKLS-UHFFFAOYSA-N
XLogP3.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxyheptanoic acid
CID 2750949
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytetradecanoic acid;titanium?
The IUPAC name of 2-hydroxytetradecanoic acid;titanium (CID 174290276) is 2-hydroxytetradecanoic acid;titanium.
What is the SMILES notation for 2-hydroxytetradecanoic acid;titanium?
The canonical SMILES for 2-hydroxytetradecanoic acid;titanium is CCCCCCCCCCCCC(O)C(=O)O.[Ti].
What is the InChIKey of 2-hydroxytetradecanoic acid;titanium?
The InChIKey is YJDCHZFZUHSKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h13,15H,2-12H2,1H3,(H,16,17);.
What are the key properties of 2-hydroxytetradecanoic acid;titanium?
2-hydroxytetradecanoic acid;titanium has a molecular weight of 292.24 g/mol, XLogP of 3.74, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytetradecanoic acid;titanium is sourced from PubChem (CID 174290276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).