methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate

C15H30O3Si — CID 102532562

IUPACmethyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1CCO[C@@H]1[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-10(2)19(11(3)4,12(5)6)15-13(8-9-18-15)14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-,15+/m0/s1
InChIKeyRDHUINJSAAHLAN-DZGCQCFKSA-N
MW286.49 g/mol
LogP3.78
Rot. Bonds5

About methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate

methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate (PubChem CID 102532562) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate
PubChem CID102532562
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate
SMILESCOC(=O)[C@@H]1CCO[C@@H]1[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O3Si/c1-10(2)19(11(3)4,12(5)6)15-13(8-9-18-15)14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-,15+/m0/s1
InChIKeyRDHUINJSAAHLAN-DZGCQCFKSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.78
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,3R)-2-tricyclohexylsilyloxolane-3-carboxylate
CID 102532565
methyl (2S,3R)-2-(difluoromethyl)oxolane-3-carboxylate
CID 99985992
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
methyl (2R)-2-[tri(propan-2-yl)silylmethyl]cyclobutane-1-carboxylate
CID 135039673
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
methyl 1,3-dioxolane-2-carboxylate
CID 11815392
methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 12726625
methyl 4-hydroxyoxane-3-carboxylate
CID 82596115
methyl 2-(1-hydroxyethyl)cyclopentane-1-carboxylate
CID 89342886

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate?
The IUPAC name of methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate (CID 102532562) is methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate is COC(=O)[C@@H]1CCO[C@@H]1[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate?
The InChIKey is RDHUINJSAAHLAN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-10(2)19(11(3)4,12(5)6)15-13(8-9-18-15)14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-,15+/m0/s1.
What are the key properties of methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate?
methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate has a molecular weight of 286.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-tri(propan-2-yl)silyloxolane-3-carboxylate is sourced from PubChem (CID 102532562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).