ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate

C15H26O5Si — CID 11834004

IUPACethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[Si](C)(C)O[C@H]2C=C[C@@H](OCC)O[C@H]12
InChIInChI=1S/C15H26O5Si/c1-5-17-13(16)9-11-10-21(3,4)20-12-7-8-14(18-6-2)19-15(11)12/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKeyFWDXLXCPRZCPDP-NZBPQXDJSA-N
MW314.45 g/mol
LogP2.48
Rot. Bonds5

About ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate

ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate (PubChem CID 11834004) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate
PubChem CID11834004
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Nameethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1C[Si](C)(C)O[C@H]2C=C[C@@H](OCC)O[C@H]12
InChIInChI=1S/C15H26O5Si/c1-5-17-13(16)9-11-10-21(3,4)20-12-7-8-14(18-6-2)19-15(11)12/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKeyFWDXLXCPRZCPDP-NZBPQXDJSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate (CID 11834004) is ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate is CCOC(=O)C[C@H]1C[Si](C)(C)O[C@H]2C=C[C@@H](OCC)O[C@H]12.
What is the InChIKey of ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate?
The InChIKey is FWDXLXCPRZCPDP-NZBPQXDJSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-5-17-13(16)9-11-10-21(3,4)20-12-7-8-14(18-6-2)19-15(11)12/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3/t11-,12-,14-,15+/m0/s1.
What are the key properties of ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate?
ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate has a molecular weight of 314.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,4aR,6S,8aS)-6-ethoxy-2,2-dimethyl-4,4a,6,8a-tetrahydro-3H-pyrano[2,3-e]oxasilin-4-yl]acetate is sourced from PubChem (CID 11834004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).