ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate

C17H32O4Si — CID 91024847

IUPACethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OCC)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C17H32O4Si/c1-9-13-11-14(12-15(18)19-10-2)21-22(20-13,16(3,4)5)17(6,7)8/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1
InChIKeySPNWVLXDLQVOBM-ZIAGYGMSSA-N
MW328.53 g/mol
LogP4.34
Rot. Bonds4

About ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate

ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate (PubChem CID 91024847) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
PubChem CID91024847
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OCC)O[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C17H32O4Si/c1-9-13-11-14(12-15(18)19-10-2)21-22(20-13,16(3,4)5)17(6,7)8/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1
InChIKeySPNWVLXDLQVOBM-ZIAGYGMSSA-N
XLogP4.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhept-6-enoate
CID 139257724
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11783612
ethyl (5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11015964
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 11058201
Ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11091763
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 58782240
Ethyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 85350934
(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 101109246
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate;methyl (3S,5R)-3,5-dihydroxyhept-6-enoate
CID 159047894
ethyl 2-[(4S,6R)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate;ethyl (3S,5R)-3,5-dihydroxyhept-6-enoate
CID 160487698
4-[Tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one
CID 10015296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate?
The IUPAC name of ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate (CID 91024847) is ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate is C=C[C@@H]1C[C@H](CC(=O)OCC)O[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate?
The InChIKey is SPNWVLXDLQVOBM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-13-11-14(12-15(18)19-10-2)21-22(20-13,16(3,4)5)17(6,7)8/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m1/s1.
What are the key properties of ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate?
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate has a molecular weight of 328.53 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate is sourced from PubChem (CID 91024847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).