2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate

C25H46O6Si — CID 138969560

IUPAC2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCOC(=O)/C=C1/C[C@@H](CCOC(=O)C(C)(C)C)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C25H46O6Si/c1-23(2,3)22(27)29-13-12-19-14-18(16-21(26)28-9)15-20(31-19)25(7,8)17-30-32(10,11)24(4,5)6/h16,19-20H,12-15,17H2,1-11H3/b18-16-/t19-,20-/m1/s1
InChIKeyWPFMGVZCKJREHZ-KXPCVTIESA-N
MW470.72 g/mol
LogP5.66
Rot. Bonds8

About 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 138969560) has the molecular formula C25H46O6Si and a molecular weight of 470.72 g/mol. Its IUPAC name is 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID138969560
Molecular FormulaC25H46O6Si
Molecular Weight470.72 g/mol
Exact Mass470.31
IUPAC Name2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCOC(=O)/C=C1/C[C@@H](CCOC(=O)C(C)(C)C)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C25H46O6Si/c1-23(2,3)22(27)29-13-12-19-14-18(16-21(26)28-9)15-20(31-19)25(7,8)17-30-32(10,11)24(4,5)6/h16,19-20H,12-15,17H2,1-11H3/b18-16-/t19-,20-/m1/s1
InChIKeyWPFMGVZCKJREHZ-KXPCVTIESA-N
XLogP5.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 55.66
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 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate 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

Lyciferin B
CID 46886860
octyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylideneoxan-2-yl]-3-methylbut-2-enoate
CID 101185873
[(1R,2Z,4S,9E)-4-acetyloxy-2,5,5,9-tetramethylcycloundeca-2,9-dien-1-yl] (Z)-2-methylbut-2-enoate
CID 46210894
methyl (E)-4-[(2S,3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-[(E)-prop-1-enyl]oxan-2-yl]-3-methylbut-2-enoate
CID 102146553
tert-butyl (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-4-iodo-2-methylbut-3-enyl]oxan-2-yl]but-2-enoate
CID 134843266
ethyl (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8,10-pentamethyldodeca-2,10-dienoate
CID 134940787
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6S)-6-[(2S,3S)-2-methoxy-3-methylpent-4-enyl]oxan-2-yl]-4-methylocta-2,4-dienoate
CID 135047713
(S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one
CID 139192794
(R)-6-((3S,4S,5S)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one
CID 139192798
(4-Acetyloxy-2,5,5,9-tetramethylcycloundeca-2,9-dien-1-yl) 2-methylbut-2-enoate
CID 75149609
ethyl (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate
CID 11576192

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 138969560) is 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate is COC(=O)/C=C1/C[C@@H](CCOC(=O)C(C)(C)C)O[C@@H](C(C)(C)CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is WPFMGVZCKJREHZ-KXPCVTIESA-N. The full InChI is InChI=1S/C25H46O6Si/c1-23(2,3)22(27)29-13-12-19-14-18(16-21(26)28-9)15-20(31-19)25(7,8)17-30-32(10,11)24(4,5)6/h16,19-20H,12-15,17H2,1-11H3/b18-16-/t19-,20-/m1/s1.
What are the key properties of 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 470.72 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4Z,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)oxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 138969560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).