strontium bis(2-hydroxytetradecanoate)

C28H54O6Sr — CID 19990057

IUPACstrontium bis(2-hydroxytetradecanoate)
SMILESCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCC(O)C(=O)[O-].[Sr+2]
InChIInChI=1S/2C14H28O3.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h2*13,15H,2-12H2,1H3,(H,16,17);/q;;+2/p-2
InChIKeyLANQHYXACDKSAK-UHFFFAOYSA-L
MW574.35 g/mol
LogP4.44
Rot. Bonds24

About strontium bis(2-hydroxytetradecanoate)

strontium bis(2-hydroxytetradecanoate) (PubChem CID 19990057) has the molecular formula C28H54O6Sr and a molecular weight of 574.35 g/mol. Its IUPAC name is strontium bis(2-hydroxytetradecanoate).

Molecular Properties

Compound Namestrontium bis(2-hydroxytetradecanoate)
PubChem CID19990057
Molecular FormulaC28H54O6Sr
Molecular Weight574.35 g/mol
Exact Mass574.30
IUPAC Namestrontium bis(2-hydroxytetradecanoate)
SMILESCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCC(O)C(=O)[O-].[Sr+2]
InChIInChI=1S/2C14H28O3.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h2*13,15H,2-12H2,1H3,(H,16,17);/q;;+2/p-2
InChIKeyLANQHYXACDKSAK-UHFFFAOYSA-L
XLogP4.44
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
azanium 2-hydroxydodecanoate
CID 139935066
zinc bis(2-hydroxyhexadecanoate)
CID 159204851
(2R)-2-hydroxyheptanoate
CID 7054559
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
magnesium bis(2-hydroxyhexanoate)
CID 139844837
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
sodium 5-heptyl-2-hydroxy-4-oxotetradecanoate
CID 88635824
2-hydroxydecanoic acid
CID 161255514
2,3-dioctadecylbutanedioate
CID 21183582

Frequently Asked Questions

What is the IUPAC name of strontium bis(2-hydroxytetradecanoate)?
The IUPAC name of strontium bis(2-hydroxytetradecanoate) (CID 19990057) is strontium bis(2-hydroxytetradecanoate).
What is the SMILES notation for strontium bis(2-hydroxytetradecanoate)?
The canonical SMILES for strontium bis(2-hydroxytetradecanoate) is CCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCC(O)C(=O)[O-].[Sr+2].
What is the InChIKey of strontium bis(2-hydroxytetradecanoate)?
The InChIKey is LANQHYXACDKSAK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H28O3.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17;/h2*13,15H,2-12H2,1H3,(H,16,17);/q;;+2/p-2.
What are the key properties of strontium bis(2-hydroxytetradecanoate)?
strontium bis(2-hydroxytetradecanoate) has a molecular weight of 574.35 g/mol, XLogP of 4.44, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2-hydroxytetradecanoate) is sourced from PubChem (CID 19990057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).