[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate

C19H38O5Si — CID 10785649

IUPAC[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
SMILESC=CC[C@H](OCOC)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-11-12-15(23-14-21-8)16(13-22-17(20)18(2,3)4)24-25(9,10)19(5,6)7/h11,15-16H,1,12-14H2,2-10H3/t15-,16+/m0/s1
InChIKeyLOJXKXWNTILIQI-JKSUJKDBSA-N
MW374.59 g/mol
LogP4.53
Rot. Bonds10

About [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate

[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10785649) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
PubChem CID10785649
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
SMILESC=CC[C@H](OCOC)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-11-12-15(23-14-21-8)16(13-22-17(20)18(2,3)4)24-25(9,10)19(5,6)7/h11,15-16H,1,12-14H2,2-10H3/t15-,16+/m0/s1
InChIKeyLOJXKXWNTILIQI-JKSUJKDBSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[4-methoxy-4-[(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-yl]oxybutyl] 2,2-dimethylpropanoate
CID 393378
1-[2-(Tert-butyldimethylsilanyloxy)ethyl]-2-(2-methoxyethoxymethoxy)but-3-enylester
CID 46894691
[4-[1-Ethyl-2-(2-trimethylsilylethoxymethoxy)but-3-enoxy]-4-methoxy-butyl] 2,2-dimethylpropanoate
CID 496613
(4R)-1-Acetoxy-4-(tert-butyldimethylsilyloxy)-5-pivaloyloxyhexene
CID 134780043
3-[(4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-4-yl]oxypropanoyloxymethyl 2,2-dimethylpropanoate
CID 173582261
[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
CID 10696242
ethyl 2-[(4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2-ethoxy-5-methyl-1,3-dioxolan-2-yl]acetate
CID 11417867
[(4R,5R)-2,2-dimethyl-5-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 11453140
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 44556690
[(E,3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
CID 101624463
[(3S)-2-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 102277375
[(3R)-6-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxyhex-5-en-2-yl] 2,2-dimethylpropanoate
CID 177841836

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate (CID 10785649) is [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate is C=CC[C@H](OCOC)[C@@H](COC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is LOJXKXWNTILIQI-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-11-12-15(23-14-21-8)16(13-22-17(20)18(2,3)4)24-25(9,10)19(5,6)7/h11,15-16H,1,12-14H2,2-10H3/t15-,16+/m0/s1.
What are the key properties of [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate?
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 374.59 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10785649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).