methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate

C27H50O6Si — CID 23253344

IUPACmethyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate
SMILESCC[C@H]1OC(C)(C)O[C@@]1(C)/C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC
InChIInChI=1S/C27H50O6Si/c1-14-22-27(10,33-26(8,9)31-22)16-15-21(28)18(2)17-19(3)23(20(4)24(29)30-11)32-34(12,13)25(5,6)7/h15-16,18-20,22-23H,14,17H2,1-13H3/b16-15+/t18-,19+,20-,22-,23+,27+/m1/s1
InChIKeyDDOLBLIUTZPWIG-LPPATHAUSA-N
MW498.78 g/mol
LogP6.29
Rot. Bonds11

About methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate

methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate (PubChem CID 23253344) has the molecular formula C27H50O6Si and a molecular weight of 498.78 g/mol. Its IUPAC name is methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate.

Molecular Properties

Compound Namemethyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate
PubChem CID23253344
Molecular FormulaC27H50O6Si
Molecular Weight498.78 g/mol
Exact Mass498.34
IUPAC Namemethyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate
SMILESCC[C@H]1OC(C)(C)O[C@@]1(C)/C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC
InChIInChI=1S/C27H50O6Si/c1-14-22-27(10,33-26(8,9)31-22)16-15-21(28)18(2)17-19(3)23(20(4)24(29)30-11)32-34(12,13)25(5,6)7/h15-16,18-20,22-23H,14,17H2,1-13H3/b16-15+/t18-,19+,20-,22-,23+,27+/m1/s1
InChIKeyDDOLBLIUTZPWIG-LPPATHAUSA-N
XLogP6.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.78
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-[[(4R,5R)-2,2,4-trimethyl-5-[(E,2S)-non-3-en-2-yl]-1,3-dioxolan-4-yl]methyl]pent-1-en-3-one
CID 14430704
[3-Acetyloxy-6-hydroxy-2-(2-methoxypropan-2-yloxy)-6-(2-octyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-yl)hex-4-enyl] acetate
CID 57044839
5-[(4S,5R)-4,6-diacetoxy-1-hydroxy-5-(1-methoxy-1-methylethyloxy)-2-hexen-1-yl]-4-octyl-4-trimethylsilyloxy-2-cyclopentenone
CID 67863674
[(2R,3S)-3-acetyloxy-6-(2-butyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-yl)-6-hydroxy-2-(2-methoxypropan-2-yloxy)hex-4-enyl] acetate
CID 67864156
[(E,2R,3S)-3-acetyloxy-6-hydroxy-2-(2-methoxypropan-2-yloxy)-6-(2-octyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-yl)hex-4-enyl] acetate
CID 67914208
[(E,2R,3S)-3-acetyloxy-6-(2-butyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-yl)-6-hydroxy-2-(2-methoxypropan-2-yloxy)hex-4-enyl] acetate
CID 67914212
dimethyl (Z)-2-[(4S,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enedioate
CID 68363572
[(2R,3S)-3-acetyloxy-2-(2-methoxypropan-2-yloxy)-6-(2-octyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-ylidene)hex-4-enyl] acetate
CID 88472391
[(2R,3S)-3-acetyloxy-6-(2-butyl-5-oxo-2-trimethylsilyloxycyclopent-3-en-1-ylidene)-2-(2-methoxypropan-2-yloxy)hex-4-enyl] acetate
CID 88472437
(1S,4Z,7R,11S,17R,19S)-9,11-dimethyl-19-[(E)-2-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]ethenyl]-13-methylidene-7-[(Z)-prop-1-enyl]-2,8,18-trioxabicyclo[15.2.1]icos-4-ene-3,15-dione
CID 89313910
(3aR,7aR)-2,2-dimethyl-3a-[(Z)-non-5-enyl]-7-tri(propan-2-yl)silyloxy-7,7a-dihydro-1,3-benzodioxol-4-one
CID 140808403
(1R,3Z)-8-[(1E)-3-methoxy-5-methylhexa-1,5-dienyl]-16-methyl-14-methylidene-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-diene-5,12-dione
CID 143024841

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate?
The IUPAC name of methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate (CID 23253344) is methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate.
What is the SMILES notation for methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate?
The canonical SMILES for methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate is CC[C@H]1OC(C)(C)O[C@@]1(C)/C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate?
The InChIKey is DDOLBLIUTZPWIG-LPPATHAUSA-N. The full InChI is InChI=1S/C27H50O6Si/c1-14-22-27(10,33-26(8,9)31-22)16-15-21(28)18(2)17-19(3)23(20(4)24(29)30-11)32-34(12,13)25(5,6)7/h15-16,18-20,22-23H,14,17H2,1-13H3/b16-15+/t18-,19+,20-,22-,23+,27+/m1/s1.
What are the key properties of methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate?
methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate has a molecular weight of 498.78 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxonon-8-enoate is sourced from PubChem (CID 23253344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).