methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate

C20H38O5Si — CID 71816825

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
SMILESC=CCCCC[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C20H38O5Si/c1-10-11-12-13-14-15-16(24-20(5,6)23-15)17(18(21)22-7)25-26(8,9)19(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17+/m1/s1
InChIKeyUNJPLWJBVZYNRI-IKGGRYGDSA-N
MW386.61 g/mol
LogP4.82
Rot. Bonds9

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate (PubChem CID 71816825) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
PubChem CID71816825
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
SMILESC=CCCCC[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C20H38O5Si/c1-10-11-12-13-14-15-16(24-20(5,6)23-15)17(18(21)22-7)25-26(8,9)19(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17+/m1/s1
InChIKeyUNJPLWJBVZYNRI-IKGGRYGDSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]octyl] (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72708010
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587269
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-one
CID 102587273
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 135022818
1-[(4S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 161509452
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-one
CID 10736878
methyl 2,2-dimethyl-5-[(3E)-3-methyl-7-(trimethylsilylmethyl)octa-3,7-dienyl]-1,3-dioxolane-4-carboxylate
CID 10893938
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
CID 11087335
(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11143852
methyl (4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11256445
1-[(4S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-1-one
CID 11611003
[(2R)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 49787937

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate (CID 71816825) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate is C=CCCCC[C@H]1OC(C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The InChIKey is UNJPLWJBVZYNRI-IKGGRYGDSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-10-11-12-13-14-15-16(24-20(5,6)23-15)17(18(21)22-7)25-26(8,9)19(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17+/m1/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate has a molecular weight of 386.61 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 71816825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).