(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol

C25H42O3Si2 — CID 134901275

IUPAC(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
SMILESCC(O)C#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si2/c1-19(26)14-13-15-21-20(16-17-29(8,9)10)18-22(27-24(2,3)4)23(21)28-30(11,12)25(5,6)7/h15,18-19,22-23,26H,1-12H3/b21-15+/t19?,22-,23-/m1/s1
InChIKeyNHBGWIDLOQTESA-WNUODVEPSA-N
MW446.78 g/mol
LogP5.69
Rot. Bonds3

About (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol

(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol (PubChem CID 134901275) has the molecular formula C25H42O3Si2 and a molecular weight of 446.78 g/mol. Its IUPAC name is (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol.

Molecular Properties

Compound Name(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
PubChem CID134901275
Molecular FormulaC25H42O3Si2
Molecular Weight446.78 g/mol
Exact Mass446.27
IUPAC Name(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
SMILESCC(O)C#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si2/c1-19(26)14-13-15-21-20(16-17-29(8,9)10)18-22(27-24(2,3)4)23(21)28-30(11,12)25(5,6)7/h15,18-19,22-23,26H,1-12H3/b21-15+/t19?,22-,23-/m1/s1
InChIKeyNHBGWIDLOQTESA-WNUODVEPSA-N
XLogP5.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol 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

(2E,7Z)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]octa-2,7-dien-1-ol
CID 53465582
(5Z)-5-[(4R,5R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
CID 135046052
3-[(1E,3Z)-6-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]cycloocta-1,3,5,7-tetraen-1-yl]prop-2-yn-1-ol
CID 173884372
(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol
CID 11133822
(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
CID 53465581
(5E)-5-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-5-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-ylidene]pent-3-yn-2-one
CID 101712627
[(1S,8R)-3-methylidene-11-oxabicyclo[6.2.1]undec-9-en-5-yn-9-yl]oxy-tri(propan-2-yl)silane
CID 101785054

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?
The IUPAC name of (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol (CID 134901275) is (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol.
What is the SMILES notation for (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?
The canonical SMILES for (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol is CC(O)C#C/C=C1\C(C#C[Si](C)(C)C)=C[C@@H](OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?
The InChIKey is NHBGWIDLOQTESA-WNUODVEPSA-N. The full InChI is InChI=1S/C25H42O3Si2/c1-19(26)14-13-15-21-20(16-17-29(8,9)10)18-22(27-24(2,3)4)23(21)28-30(11,12)25(5,6)7/h15,18-19,22-23,26H,1-12H3/b21-15+/t19?,22-,23-/m1/s1.
What are the key properties of (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol?
(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol has a molecular weight of 446.78 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol is sourced from PubChem (CID 134901275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).