ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate

C26H48O5Si — CID 10624146

IUPACethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C/C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C26H48O5Si/c1-11-28-24(27)20(5)12-13-21-16-22(31-32(9,10)25(6,7)8)17-26(29-21)15-14-19(4)23(30-26)18(2)3/h12,18-19,21-23H,11,13-17H2,1-10H3/b20-12+/t19-,21+,22-,23+,26+/m0/s1
InChIKeyWKXGJLONQZMCJX-FEQLCFFMSA-N
MW468.75 g/mol
LogP6.62
Rot. Bonds7

About ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate

ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate (PubChem CID 10624146) has the molecular formula C26H48O5Si and a molecular weight of 468.75 g/mol. Its IUPAC name is ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate
PubChem CID10624146
Molecular FormulaC26H48O5Si
Molecular Weight468.75 g/mol
Exact Mass468.33
IUPAC Nameethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate
SMILESCCOC(=O)/C(C)=C/C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1
InChIInChI=1S/C26H48O5Si/c1-11-28-24(27)20(5)12-13-21-16-22(31-32(9,10)25(6,7)8)17-26(29-21)15-14-19(4)23(30-26)18(2)3/h12,18-19,21-23H,11,13-17H2,1-10H3/b20-12+/t19-,21+,22-,23+,26+/m0/s1
InChIKeyWKXGJLONQZMCJX-FEQLCFFMSA-N
XLogP6.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.75
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate?
The IUPAC name of ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate (CID 10624146) is ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate?
The canonical SMILES for ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate is CCOC(=O)/C(C)=C/C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1.
What is the InChIKey of ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate?
The InChIKey is WKXGJLONQZMCJX-FEQLCFFMSA-N. The full InChI is InChI=1S/C26H48O5Si/c1-11-28-24(27)20(5)12-13-21-16-22(31-32(9,10)25(6,7)8)17-26(29-21)15-14-19(4)23(30-26)18(2)3/h12,18-19,21-23H,11,13-17H2,1-10H3/b20-12+/t19-,21+,22-,23+,26+/m0/s1.
What are the key properties of ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate?
ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate has a molecular weight of 468.75 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[(2R,3S,6R,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylbut-2-enoate is sourced from PubChem (CID 10624146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).