7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol

C13H24O2Si — CID 171800849

IUPAC7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol
SMILESC=CCC(O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-9-12(14)10-8-11-15-16(5,6)13(2,3)4/h7,12,14H,1,9,11H2,2-6H3
InChIKeyLFQTUXBZPFVXJO-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.95
Rot. Bonds4

About 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol

7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol (PubChem CID 171800849) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol
PubChem CID171800849
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol
SMILESC=CCC(O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-7-9-12(14)10-8-11-15-16(5,6)13(2,3)4/h7,12,14H,1,9,11H2,2-6H3
InChIKeyLFQTUXBZPFVXJO-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol (CID 171800849) is 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol is C=CCC(O)C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol?
The InChIKey is LFQTUXBZPFVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-9-12(14)10-8-11-15-16(5,6)13(2,3)4/h7,12,14H,1,9,11H2,2-6H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol?
7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol has a molecular weight of 240.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol is sourced from PubChem (CID 171800849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).