methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

C20H38O4Si — CID 11783612

IUPACmethyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESC=CC[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C20H38O4Si/c1-9-10-17-11-19(12-18(23-17)13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18+,19-/m0/s1
InChIKeyRMHRWZUDLJQRKG-OTWHNJEPSA-N
MW370.61 g/mol
LogP5.23
Rot. Bonds9

About methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (PubChem CID 11783612) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
PubChem CID11783612
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namemethyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESC=CC[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C20H38O4Si/c1-9-10-17-11-19(12-18(23-17)13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18+,19-/m0/s1
InChIKeyRMHRWZUDLJQRKG-OTWHNJEPSA-N
XLogP5.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.23
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 methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate with MolForge

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Related Compounds

[(2S)-1-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]-3,3-dimethyl-4-oxohept-6-en-2-yl] acetate
CID 56590301
(1S,5R,7S)-7-((S)-2-((Triethylsilyl)oxy)pent-4-en-1yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 71489709
Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
ethyl (5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11015964
Ethyl 5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxonon-8-enoate
CID 11091763
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
ethyl 2-[(4R,6S)-2,2-ditert-butyl-6-ethenyl-1,3,2-dioxasilinan-4-yl]acetate
CID 91024847
[(4Z)-12-oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl] acetate
CID 167526425
Methyl 2-[7-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxohept-6-enyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 173836950
methyl 2-[(9R)-7-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxohept-6-enyl]-6,10-dioxaspiro[4.5]decan-9-yl]acetate
CID 173949198
(12-Oxo-10-triethylsilyloxy-1-oxacyclododec-4-en-6-yl) acetate
CID 175706561

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (CID 11783612) is methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is C=CC[C@H]1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The InChIKey is RMHRWZUDLJQRKG-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-9-10-17-11-19(12-18(23-17)13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h9,14-19H,1,10-13H2,2-8H3/t17-,18+,19-/m0/s1.
What are the key properties of methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate has a molecular weight of 370.61 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,6S)-6-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is sourced from PubChem (CID 11783612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).