strontium bis(2,2,3,3-tetracyclohexylbutanoate)

C56H94O4Sr — CID 139989805

IUPACstrontium bis(2,2,3,3-tetracyclohexylbutanoate)
SMILESCC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.[Sr+2]
InChIInChI=1S/2C28H48O2.Sr/c2*1-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28(26(29)30,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2*22-25H,2-21H2,1H3,(H,29,30);/q;;+2/p-2
InChIKeyCCNKHMYFTSAXPE-UHFFFAOYSA-L
MW918.98 g/mol
LogP13.72
Rot. Bonds12

About strontium bis(2,2,3,3-tetracyclohexylbutanoate)

strontium bis(2,2,3,3-tetracyclohexylbutanoate) (PubChem CID 139989805) has the molecular formula C56H94O4Sr and a molecular weight of 918.98 g/mol. Its IUPAC name is strontium bis(2,2,3,3-tetracyclohexylbutanoate).

Molecular Properties

Compound Namestrontium bis(2,2,3,3-tetracyclohexylbutanoate)
PubChem CID139989805
Molecular FormulaC56H94O4Sr
Molecular Weight918.98 g/mol
Exact Mass918.62
IUPAC Namestrontium bis(2,2,3,3-tetracyclohexylbutanoate)
SMILESCC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.[Sr+2]
InChIInChI=1S/2C28H48O2.Sr/c2*1-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28(26(29)30,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2*22-25H,2-21H2,1H3,(H,29,30);/q;;+2/p-2
InChIKeyCCNKHMYFTSAXPE-UHFFFAOYSA-L
XLogP13.72
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.98
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze strontium bis(2,2,3,3-tetracyclohexylbutanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-2-methylpropanoate
CID 57470554
acetic acid;tert-butylcyclohexane
CID 69013500
tert-butylcyclopentadecane
CID 164774831
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
3,3-dicyclohexyl-2,2-dimethyl-4-methylidenepentanedioic acid
CID 54561732
2-cyclononadecylpropan-2-ol
CID 126587376
1-cyclooctylethane-1,1-diol
CID 22410754
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclooctylpropan-2-ol
CID 27966
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797

Frequently Asked Questions

What is the IUPAC name of strontium bis(2,2,3,3-tetracyclohexylbutanoate)?
The IUPAC name of strontium bis(2,2,3,3-tetracyclohexylbutanoate) (CID 139989805) is strontium bis(2,2,3,3-tetracyclohexylbutanoate).
What is the SMILES notation for strontium bis(2,2,3,3-tetracyclohexylbutanoate)?
The canonical SMILES for strontium bis(2,2,3,3-tetracyclohexylbutanoate) is CC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.CC(C1CCCCC1)(C1CCCCC1)C(C(=O)[O-])(C1CCCCC1)C1CCCCC1.[Sr+2].
What is the InChIKey of strontium bis(2,2,3,3-tetracyclohexylbutanoate)?
The InChIKey is CCNKHMYFTSAXPE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H48O2.Sr/c2*1-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)28(26(29)30,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2*22-25H,2-21H2,1H3,(H,29,30);/q;;+2/p-2.
What are the key properties of strontium bis(2,2,3,3-tetracyclohexylbutanoate)?
strontium bis(2,2,3,3-tetracyclohexylbutanoate) has a molecular weight of 918.98 g/mol, XLogP of 13.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2,2,3,3-tetracyclohexylbutanoate) is sourced from PubChem (CID 139989805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).