7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol

C23H30O2Si — CID 75032872

IUPAC7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol
SMILESC#CCC(O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O2Si/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h1,6-11,15-18,20,24H,12-14,19H2,2-4H3
InChIKeyZBBWPVOQQZIZCX-UHFFFAOYSA-N
MW366.58 g/mol
LogP3.73
Rot. Bonds8

About 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol

7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol (PubChem CID 75032872) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol.

Molecular Properties

Compound Name7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol
PubChem CID75032872
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol
SMILESC#CCC(O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O2Si/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h1,6-11,15-18,20,24H,12-14,19H2,2-4H3
InChIKeyZBBWPVOQQZIZCX-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol?
The IUPAC name of 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol (CID 75032872) is 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol.
What is the SMILES notation for 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol?
The canonical SMILES for 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol is C#CCC(O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol?
The InChIKey is ZBBWPVOQQZIZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-5-13-20(24)14-12-19-25-26(23(2,3)4,21-15-8-6-9-16-21)22-17-10-7-11-18-22/h1,6-11,15-18,20,24H,12-14,19H2,2-4H3.
What are the key properties of 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol?
7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol has a molecular weight of 366.58 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(diphenyl)silyl]oxyhept-1-yn-4-ol is sourced from PubChem (CID 75032872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).