methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate

C25H44O6Si — CID 139249726

IUPACmethyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2C)O\C1=C/C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O6Si/c1-17-20(31-25(7,8)30-17)14-19-12-18(13-22(26)27-9)21(29-19)15-24(5,6)16-28-32(10,11)23(2,3)4/h13,15,17,19-20H,12,14,16H2,1-11H3/b18-13+,21-15-/t17-,19+,20-/m1/s1
InChIKeyFBHCMCIXXKLKQT-TVYJGMFNSA-N
MW468.71 g/mol
LogP5.74
Rot. Bonds7

About methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate

methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate (PubChem CID 139249726) has the molecular formula C25H44O6Si and a molecular weight of 468.71 g/mol. Its IUPAC name is methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate
PubChem CID139249726
Molecular FormulaC25H44O6Si
Molecular Weight468.71 g/mol
Exact Mass468.29
IUPAC Namemethyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2C)O\C1=C/C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44O6Si/c1-17-20(31-25(7,8)30-17)14-19-12-18(13-22(26)27-9)21(29-19)15-24(5,6)16-28-32(10,11)23(2,3)4/h13,15,17,19-20H,12,14,16H2,1-11H3/b18-13+,21-15-/t17-,19+,20-/m1/s1
InChIKeyFBHCMCIXXKLKQT-TVYJGMFNSA-N
XLogP5.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 55.74
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 (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate 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

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
methyl (2Z)-2-[(2S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-2,3-dihydropyran-4-ylidene]acetate
CID 101954341
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
methyl (2E)-2-[(2S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-2,3-dihydropyran-4-ylidene]acetate
CID 139249721
(1R,3Z,7S,9E,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 59027069
(1R,7S,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 90730663
7-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-13-methylidene-11-tri(propan-2-yl)silyloxy-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 91517633
(1R,7S,9E,17R)-11-[tert-butyl(dimethyl)silyl]oxy-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-13-methylidene-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 159458320
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,5S)-5-[(Z,1R)-1-[tert-butyl(dimethyl)silyl]oxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 11226527
(2R)-2-[(R)-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 11246533

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate?
The IUPAC name of methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate (CID 139249726) is methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate.
What is the SMILES notation for methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate?
The canonical SMILES for methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate is COC(=O)/C=C1\C[C@@H](C[C@H]2OC(C)(C)O[C@@H]2C)O\C1=C/C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate?
The InChIKey is FBHCMCIXXKLKQT-TVYJGMFNSA-N. The full InChI is InChI=1S/C25H44O6Si/c1-17-20(31-25(7,8)30-17)14-19-12-18(13-22(26)27-9)21(29-19)15-24(5,6)16-28-32(10,11)23(2,3)4/h13,15,17,19-20H,12,14,16H2,1-11H3/b18-13+,21-15-/t17-,19+,20-/m1/s1.
What are the key properties of methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate?
methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate has a molecular weight of 468.71 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[(2Z,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]-5-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ylidene]acetate is sourced from PubChem (CID 139249726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).