methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate

C20H38O5Si — CID 25001342

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-11-16-20(7,25-19(5,6)23-16)13-12-15(14-17(21)22-8)24-26(9,10)18(2,3)4/h11,15-16H,1,12-14H2,2-10H3/t15-,16+,20-/m0/s1
InChIKeyZEBJXHCNCXNSSB-YRNRMSPPSA-N
MW386.61 g/mol
LogP4.82
Rot. Bonds8

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate (PubChem CID 25001342) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate
PubChem CID25001342
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate
SMILESC=C[C@H]1OC(C)(C)O[C@@]1(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-11-16-20(7,25-19(5,6)23-16)13-12-15(14-17(21)22-8)24-26(9,10)18(2,3)4/h11,15-16H,1,12-14H2,2-10H3/t15-,16+,20-/m0/s1
InChIKeyZEBJXHCNCXNSSB-YRNRMSPPSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-5-methylidene-2-tri(propan-2-yl)silyloxyhept-6-enyl]oxolan-2-yl]acetate
CID 15953256
(4S,5R)-5-(8-methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)-4-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]oxolan-2-one
CID 71739161
ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate
CID 102150065
[(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
(2E)-9-[tert-butyl(dimethyl)silyl]oxy-5-[(2E,4E)-7-[3-[3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-4,12-dimethyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-ene-7,14-dione
CID 21023942
9-[Tert-butyl(dimethyl)silyl]oxy-5-[7-[3-[3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-4,12-dimethyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-ene-7,14-dione
CID 73734087
methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate
CID 10601090
[(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-yl] (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-oxoheptanoate
CID 11250744
[(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]butyl] 2,2-dimethylpropanoate
CID 11510215
ethoxycarbonyl (3S)-3-[(2R,3S)-3-[(2R)-but-3-en-2-yl]-2-methyloxiran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 21779055
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-[(E,3R)-4-hydroxy-3-methylbut-1-enyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoic acid
CID 25001639
(1R,2E,4R,9S,12S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12,14,14-tetramethyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one
CID 25001640

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate (CID 25001342) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate is C=C[C@H]1OC(C)(C)O[C@@]1(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate?
The InChIKey is ZEBJXHCNCXNSSB-YRNRMSPPSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-11-16-20(7,25-19(5,6)23-16)13-12-15(14-17(21)22-8)24-26(9,10)18(2,3)4/h11,15-16H,1,12-14H2,2-10H3/t15-,16+,20-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate has a molecular weight of 386.61 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentanoate is sourced from PubChem (CID 25001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).