methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate

C19H34O5Si — CID 24939031

IUPACmethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate
SMILESC=C=C(C[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C)C(=O)OC
InChIInChI=1S/C19H34O5Si/c1-11-15(18(20)22-8)12-16(23-13-21-7)17(14(2)3)24-25(9,10)19(4,5)6/h16-17H,1-2,12-13H2,3-10H3/t16-,17-/m1/s1
InChIKeyUVJVJRKPVFYRKC-IAGOWNOFSA-N
MW370.56 g/mol
LogP4.22
Rot. Bonds10

About methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate

methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate (PubChem CID 24939031) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate.

Molecular Properties

Compound Namemethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate
PubChem CID24939031
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namemethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate
SMILESC=C=C(C[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C)C(=O)OC
InChIInChI=1S/C19H34O5Si/c1-11-15(18(20)22-8)12-16(23-13-21-7)17(14(2)3)24-25(9,10)19(4,5)6/h16-17H,1-2,12-13H2,3-10H3/t16-,17-/m1/s1
InChIKeyUVJVJRKPVFYRKC-IAGOWNOFSA-N
XLogP4.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.22
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl] (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(3R)-3-prop-2-enoyloxybutanoyl]oxyhexanoate
CID 135027951
(R)-ethyl 4-((2S,3R)-3-((tert-butyldimethylsilyloxy)methyl)oxiran-2-yl)-4-(methoxymethoxy)-2-methylenebutanoate
CID 57522091
Tert-butyl 2-[acetyloxy-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 69670018
4-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-(methoxymethoxy)-2-methylidenebutanoic acid
CID 89525463
4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-(methoxymethoxy)-2-methylidenebutanoic acid
CID 89525465
ethyl 4-[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-(methoxymethoxy)-2-methylidenebutanoate
CID 71522253
Dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate
CID 101337417
methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-enoate
CID 101895595
3-(2-methoxyethoxymethoxy)pent-4-en-2-yl (5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(3-prop-2-enoyloxybutanoyloxy)hexanoate
CID 101899447
ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 102588766

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate?
The IUPAC name of methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate (CID 24939031) is methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate.
What is the SMILES notation for methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate?
The canonical SMILES for methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate is C=C=C(C[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)C(=C)C)C(=O)OC.
What is the InChIKey of methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate?
The InChIKey is UVJVJRKPVFYRKC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-11-15(18(20)22-8)12-16(23-13-21-7)17(14(2)3)24-25(9,10)19(4,5)6/h16-17H,1-2,12-13H2,3-10H3/t16-,17-/m1/s1.
What are the key properties of methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate?
methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate has a molecular weight of 370.56 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenylidene-4-(methoxymethoxy)-6-methylhept-6-enoate is sourced from PubChem (CID 24939031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).