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

C14H26O2Si — CID 11402573

IUPAC7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol
SMILESC=CCC(O)C#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9H2,2-7H3
InChIKeyIFZINRLSKXQLET-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.34
Rot. Bonds4

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

7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol (PubChem CID 11402573) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol
PubChem CID11402573
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol
SMILESC=CCC(O)C#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9H2,2-7H3
InChIKeyIFZINRLSKXQLET-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.34
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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Related Compounds

(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 10900062
(Z)-5-trimethylsilylpent-4-en-2-ol
CID 11480588
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-Tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 10515006
(4S)-7-trimethylsilylhept-1-en-6-yn-4-ol
CID 10921159
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
CID 11127690
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(3S)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-ol
CID 11230515
1-Trimethylsilylhex-5-en-1-yn-3-ol
CID 11263728
(3R)-1-(Trimethylsilyl)-5-hexen-1-yn-3-ol
CID 11389632

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol (CID 11402573) is 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol is C=CCC(O)C#CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol?
The InChIKey is IFZINRLSKXQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-9-13(15)11-10-12(2)16-17(6,7)14(3,4)5/h8,12-13,15H,1,9H2,2-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol?
7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol has a molecular weight of 254.45 g/mol, XLogP of 3.34, 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]oxyoct-1-en-5-yn-4-ol is sourced from PubChem (CID 11402573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).