ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate

C20H38O6Si — CID 10644824

IUPACethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C(C)=C/C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C20H38O6Si/c1-8-23-19(21)16(2)9-10-17(13-18-14-25-20(3,4)26-18)24-15-22-11-12-27(5,6)7/h9,17-18H,8,10-15H2,1-7H3/b16-9+/t17-,18+/m1/s1
InChIKeyYDEUEUXXUHWXCR-BIJQAGJASA-N
MW402.60 g/mol
LogP4.12
Rot. Bonds12

About ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate

ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate (PubChem CID 10644824) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate.

Molecular Properties

Compound Nameethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
PubChem CID10644824
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Nameethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C(C)=C/C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C
InChIInChI=1S/C20H38O6Si/c1-8-23-19(21)16(2)9-10-17(13-18-14-25-20(3,4)26-18)24-15-22-11-12-27(5,6)7/h9,17-18H,8,10-15H2,1-7H3/b16-9+/t17-,18+/m1/s1
InChIKeyYDEUEUXXUHWXCR-BIJQAGJASA-N
XLogP4.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
ethyl (2E)-6-[tert-butyl(dimethyl)silyl]oxy-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]hexanoate
CID 49857663
6-[2-(tert-Butyldimethylsilanyloxy)ethyl]-5-(2-methoxyethoxymethoxy)-5,6-dihydropyran-2-one
CID 101520627
methyl (E)-4-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enoxycarbonyloxy-3,6-dihydro-2H-pyran-2-yl]-3-methylbut-2-enoate
CID 102146556
methyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate
CID 134971261
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The IUPAC name of ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate (CID 10644824) is ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate.
What is the SMILES notation for ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The canonical SMILES for ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate is CCOC(=O)/C(C)=C/C[C@H](C[C@H]1COC(C)(C)O1)OCOCC[Si](C)(C)C.
What is the InChIKey of ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The InChIKey is YDEUEUXXUHWXCR-BIJQAGJASA-N. The full InChI is InChI=1S/C20H38O6Si/c1-8-23-19(21)16(2)9-10-17(13-18-14-25-20(3,4)26-18)24-15-22-11-12-27(5,6)7/h9,17-18H,8,10-15H2,1-7H3/b16-9+/t17-,18+/m1/s1.
What are the key properties of ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate has a molecular weight of 402.60 g/mol, XLogP of 4.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate is sourced from PubChem (CID 10644824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).