[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C22H42O6Si — CID 44556690

IUPAC[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CCC(CC(=O)O[C@H](C)C[C@@H](C=C)OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O6Si/c1-10-12-20(28-29(8,9)22(4,5)6)16-21(23)27-18(3)15-19(11-2)26-17-25-14-13-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19-,20?/m1/s1
InChIKeyMDYIIQJCQWJIHV-LEAGNCFPSA-N
MW430.66 g/mol
LogP4.86
Rot. Bonds16

About [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 44556690) has the molecular formula C22H42O6Si and a molecular weight of 430.66 g/mol. Its IUPAC name is [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Name[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID44556690
Molecular FormulaC22H42O6Si
Molecular Weight430.66 g/mol
Exact Mass430.28
IUPAC Name[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CCC(CC(=O)O[C@H](C)C[C@@H](C=C)OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O6Si/c1-10-12-20(28-29(8,9)22(4,5)6)16-21(23)27-18(3)15-19(11-2)26-17-25-14-13-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19-,20?/m1/s1
InChIKeyMDYIIQJCQWJIHV-LEAGNCFPSA-N
XLogP4.86
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.66
LogP ≤ 54.86
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate with MolForge

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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
[(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
[4-[1-Ethyl-2-(2-trimethylsilylethoxymethoxy)but-3-enoxy]-4-methoxy-butyl] 2,2-dimethylpropanoate
CID 496613
methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
CID 10356788
methyl (5Z,8Z)-9-[(4R,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxynon-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate
CID 10481862
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 10785649
prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate
CID 11013912
ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
CID 11710543
[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 24938601
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloxolan-2-one
CID 44521374
[(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 [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 44556690) is [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is C=CCC(CC(=O)O[C@H](C)C[C@@H](C=C)OCOCCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is MDYIIQJCQWJIHV-LEAGNCFPSA-N. The full InChI is InChI=1S/C22H42O6Si/c1-10-12-20(28-29(8,9)22(4,5)6)16-21(23)27-18(3)15-19(11-2)26-17-25-14-13-24-7/h10-11,18-20H,1-2,12-17H2,3-9H3/t18-,19-,20?/m1/s1.
What are the key properties of [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate has a molecular weight of 430.66 g/mol, XLogP of 4.86, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 44556690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).