(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol

C28H46O2Si2 — CID 10885190

IUPAC(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO)C1(C)C)C[Si](C)(C)C
InChIInChI=1S/C28H46O2Si2/c1-23(18-21-29)15-16-25-14-13-19-28(27(25,6)7,30-32(11,12)26(3,4)5)20-17-24(2)22-31(8,9)10/h14,18,29H,2,13,19,21-22H2,1,3-12H3/b23-18-
InChIKeyGSKCXIHYGQPZIK-NKFKGCMQSA-N
MW470.85 g/mol
LogP7.33
Rot. Bonds5

About (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol

(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol (PubChem CID 10885190) has the molecular formula C28H46O2Si2 and a molecular weight of 470.85 g/mol. Its IUPAC name is (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol
PubChem CID10885190
Molecular FormulaC28H46O2Si2
Molecular Weight470.85 g/mol
Exact Mass470.30
IUPAC Name(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO)C1(C)C)C[Si](C)(C)C
InChIInChI=1S/C28H46O2Si2/c1-23(18-21-29)15-16-25-14-13-19-28(27(25,6)7,30-32(11,12)26(3,4)5)20-17-24(2)22-31(8,9)10/h14,18,29H,2,13,19,21-22H2,1,3-12H3/b23-18-
InChIKeyGSKCXIHYGQPZIK-NKFKGCMQSA-N
XLogP7.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.85
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol?
The IUPAC name of (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol (CID 10885190) is (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol is C=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\CO)C1(C)C)C[Si](C)(C)C.
What is the InChIKey of (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol?
The InChIKey is GSKCXIHYGQPZIK-NKFKGCMQSA-N. The full InChI is InChI=1S/C28H46O2Si2/c1-23(18-21-29)15-16-25-14-13-19-28(27(25,6)7,30-32(11,12)26(3,4)5)20-17-24(2)22-31(8,9)10/h14,18,29H,2,13,19,21-22H2,1,3-12H3/b23-18-.
What are the key properties of (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol?
(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol has a molecular weight of 470.85 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 10885190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).