methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate

C24H48O6Si2 — CID 10601090

IUPACmethyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate
SMILESC=C(C)[C@]1(COCOCC[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C(C)(CC(=O)OC)O1
InChIInChI=1S/C24H48O6Si2/c1-19(2)24(17-28-18-27-13-14-31(8,9)10)15-20(29-32(11,12)22(3,4)5)23(6,30-24)16-21(25)26-7/h20H,1,13-18H2,2-12H3/t20?,23?,24-/m1/s1
InChIKeyYMKCOZMDSZAUGR-VZYOYLOZSA-N
MW488.81 g/mol
LogP5.76
Rot. Bonds12

About methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate

methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate (PubChem CID 10601090) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate
PubChem CID10601090
Molecular FormulaC24H48O6Si2
Molecular Weight488.81 g/mol
Exact Mass488.30
IUPAC Namemethyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate
SMILESC=C(C)[C@]1(COCOCC[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C(C)(CC(=O)OC)O1
InChIInChI=1S/C24H48O6Si2/c1-19(2)24(17-28-18-27-13-14-31(8,9)10)15-20(29-32(11,12)22(3,4)5)23(6,30-24)16-21(25)26-7/h20H,1,13-18H2,2-12H3/t20?,23?,24-/m1/s1
InChIKeyYMKCOZMDSZAUGR-VZYOYLOZSA-N
XLogP5.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.76
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 methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate with MolForge

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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
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
Tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 173199770
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate
CID 10553034
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
(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
methyl (4R,5R,6R)-6-heptyl-5-methyl-3-methylidene-4,5-bis(triethylsilyloxy)-4,6-dihydro-3aH-furo[2,3-b]pyran-7a-carboxylate
CID 101451603
3-[(2R,3R,5R)-3-acetyloxy-3-methyl-5-[(3S)-3-methyl-4-tri(propan-2-yl)silyloxybut-1-en-2-yl]oxolan-2-yl]propanoic acid
CID 101856969

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate?
The IUPAC name of 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) is methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate is C=C(C)[C@]1(COCOCC[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C(C)(CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate?
The InChIKey is YMKCOZMDSZAUGR-VZYOYLOZSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-19(2)24(17-28-18-27-13-14-31(8,9)10)15-20(29-32(11,12)22(3,4)5)23(6,30-24)16-21(25)26-7/h20H,1,13-18H2,2-12H3/t20?,23?,24-/m1/s1.
What are the key properties of methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate?
methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate has a molecular weight of 488.81 g/mol, XLogP of 5.76, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate is sourced from PubChem (CID 10601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).