ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate

C17H32O2Si — CID 10891799

IUPACethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate
SMILESCCOC(=O)C1=C[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@@H]1C
InChIInChI=1S/C17H32O2Si/c1-10-19-15(18)14-11-20(16(4,5)6,17(7,8)9)13(3)12(14)2/h11-13H,10H2,1-9H3/t12-,13+/m0/s1
InChIKeyPKGHLFOXNFYUGY-QWHCGFSZSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds2

About ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate

ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate (PubChem CID 10891799) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate
PubChem CID10891799
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate
SMILESCCOC(=O)C1=C[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@@H]1C
InChIInChI=1S/C17H32O2Si/c1-10-19-15(18)14-11-20(16(4,5)6,17(7,8)9)13(3)12(14)2/h11-13H,10H2,1-9H3/t12-,13+/m0/s1
InChIKeyPKGHLFOXNFYUGY-QWHCGFSZSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate?
The IUPAC name of ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate (CID 10891799) is ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate.
What is the SMILES notation for ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate?
The canonical SMILES for ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate is CCOC(=O)C1=C[Si](C(C)(C)C)(C(C)(C)C)[C@H](C)[C@@H]1C.
What is the InChIKey of ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate?
The InChIKey is PKGHLFOXNFYUGY-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-10-19-15(18)14-11-20(16(4,5)6,17(7,8)9)13(3)12(14)2/h11-13H,10H2,1-9H3/t12-,13+/m0/s1.
What are the key properties of ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate?
ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate has a molecular weight of 296.53 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-1,1-ditert-butyl-2,3-dimethyl-2,3-dihydrosilole-4-carboxylate is sourced from PubChem (CID 10891799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).