ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate

C13H26O3Si — CID 101223496

IUPACethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate
SMILESCCOC(=O)[C@@H]1CC[Si](C)(C)O[C@H](C(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-6-15-13(14)11-7-8-17(4,5)16-12(9-11)10(2)3/h10-12H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyYQHQPHKMFKHQTM-NEPJUHHUSA-N
MW258.43 g/mol
LogP3.21
Rot. Bonds3

About ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate

ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate (PubChem CID 101223496) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate
PubChem CID101223496
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nameethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate
SMILESCCOC(=O)[C@@H]1CC[Si](C)(C)O[C@H](C(C)C)C1
InChIInChI=1S/C13H26O3Si/c1-6-15-13(14)11-7-8-17(4,5)16-12(9-11)10(2)3/h10-12H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyYQHQPHKMFKHQTM-NEPJUHHUSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate?
The IUPAC name of ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate (CID 101223496) is ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate.
What is the SMILES notation for ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate?
The canonical SMILES for ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate is CCOC(=O)[C@@H]1CC[Si](C)(C)O[C@H](C(C)C)C1.
What is the InChIKey of ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate?
The InChIKey is YQHQPHKMFKHQTM-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-6-15-13(14)11-7-8-17(4,5)16-12(9-11)10(2)3/h10-12H,6-9H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate?
ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate has a molecular weight of 258.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S,7S)-2,2-dimethyl-7-propan-2-yloxasilepane-5-carboxylate is sourced from PubChem (CID 101223496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).