methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate

C24H42O3Si — CID 102532565

IUPACmethyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate
SMILESCOC(=O)[C@H]1CCO[C@@H]1[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H42O3Si/c1-26-23(25)22-17-18-27-24(22)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h19-22,24H,2-18H2,1H3/t22-,24-/m1/s1
InChIKeyOFOHQLIKFYTXSW-ISKFKSNPSA-N
MW406.68 g/mol
LogP6.56
Rot. Bonds5

About methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate

methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate (PubChem CID 102532565) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate
PubChem CID102532565
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Namemethyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate
SMILESCOC(=O)[C@H]1CCO[C@@H]1[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H42O3Si/c1-26-23(25)22-17-18-27-24(22)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h19-22,24H,2-18H2,1H3/t22-,24-/m1/s1
InChIKeyOFOHQLIKFYTXSW-ISKFKSNPSA-N
XLogP6.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate
CID 102532562
methyl (2S,3R)-2-(difluoromethyl)oxolane-3-carboxylate
CID 99985992
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
methyl 4-(methylamino)oxane-3-carboxylate
CID 83846285
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
CID 21443736
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
methyl (2R,4R)-4-fluorooxane-2-carboxylate
CID 45090783
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate?
The IUPAC name of methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate (CID 102532565) is methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate is COC(=O)[C@H]1CCO[C@@H]1[Si](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate?
The InChIKey is OFOHQLIKFYTXSW-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-26-23(25)22-17-18-27-24(22)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h19-22,24H,2-18H2,1H3/t22-,24-/m1/s1.
What are the key properties of methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate?
methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate has a molecular weight of 406.68 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-tricyclohexylsilyloxolane-3-carboxylate is sourced from PubChem (CID 102532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).