1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol

C23H40OSi2 — CID 24808739

IUPAC1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol
SMILESCC(C)(C)[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C23H40OSi2/c1-21(2,3)25(7,8)18-16-23(24,20-14-12-11-13-15-20)17-19-26(9,10)22(4,5)6/h14,24H,11-13,15H2,1-10H3
InChIKeyOFWCRTSUDFQHIY-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.32
Rot. Bonds1

About 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol

1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol (PubChem CID 24808739) has the molecular formula C23H40OSi2 and a molecular weight of 388.74 g/mol. Its IUPAC name is 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol.

Molecular Properties

Compound Name1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol
PubChem CID24808739
Molecular FormulaC23H40OSi2
Molecular Weight388.74 g/mol
Exact Mass388.26
IUPAC Name1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol
SMILESCC(C)(C)[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C23H40OSi2/c1-21(2,3)25(7,8)18-16-23(24,20-14-12-11-13-15-20)17-19-26(9,10)22(4,5)6/h14,24H,11-13,15H2,1-10H3
InChIKeyOFWCRTSUDFQHIY-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol?
The IUPAC name of 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol (CID 24808739) is 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol.
What is the SMILES notation for 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol?
The canonical SMILES for 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol is CC(C)(C)[Si](C)(C)C#CC(O)(C#C[Si](C)(C)C(C)(C)C)C1=CCCCC1.
What is the InChIKey of 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol?
The InChIKey is OFWCRTSUDFQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40OSi2/c1-21(2,3)25(7,8)18-16-23(24,20-14-12-11-13-15-20)17-19-26(9,10)22(4,5)6/h14,24H,11-13,15H2,1-10H3.
What are the key properties of 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol?
1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol has a molecular weight of 388.74 g/mol, XLogP of 6.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol is sourced from PubChem (CID 24808739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).