(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol

C24H40O3Si2 — CID 11133822

IUPAC(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C/C=C1/CC(O)C=C1C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H40O3Si2/c1-23(2,3)28(7,8)26-16-12-11-14-20-18-22(25)19-21(20)15-13-17-27-29(9,10)24(4,5)6/h14,19,22,25H,16-18H2,1-10H3/b20-14-
InChIKeyAFWMSAPYYPYAAN-ZHZULCJRSA-N
MW432.75 g/mol
LogP5.65
Rot. Bonds4

About (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol

(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol (PubChem CID 11133822) has the molecular formula C24H40O3Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol
PubChem CID11133822
Molecular FormulaC24H40O3Si2
Molecular Weight432.75 g/mol
Exact Mass432.25
IUPAC Name(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#C/C=C1/CC(O)C=C1C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H40O3Si2/c1-23(2,3)28(7,8)26-16-12-11-14-20-18-22(25)19-21(20)15-13-17-27-29(9,10)24(4,5)6/h14,19,22,25H,16-18H2,1-10H3/b20-14-
InChIKeyAFWMSAPYYPYAAN-ZHZULCJRSA-N
XLogP5.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 55.65
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 (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dien-1-ol
CID 134858684
(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
(6S,7S,10E)-1,6,7-tris[tri(propan-2-yl)silyloxy]-4,5,8,9-tetradehydro-1,2,6,7-tetrahydrocyclopenta[9]annulen-2-ol
CID 134977613
(2R)-1-[(3S)-6-methyl-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 135069827
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 138981962
2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
CID 11496309
3-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 85898751

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol?
The IUPAC name of (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) is (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol?
The canonical SMILES for (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC#C/C=C1/CC(O)C=C1C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol?
The InChIKey is AFWMSAPYYPYAAN-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H40O3Si2/c1-23(2,3)28(7,8)26-16-12-11-14-20-18-22(25)19-21(20)15-13-17-27-29(9,10)24(4,5)6/h14,19,22,25H,16-18H2,1-10H3/b20-14-.
What are the key properties of (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol?
(4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol has a molecular weight of 432.75 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynylidene]-3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 11133822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).