(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol

C14H26O2Si — CID 10244062

IUPAC(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol
SMILESCC#CC(O)/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11,13,15H,9,12H2,1-6H3/b11-8-
InChIKeyPHNPTAYSHKIGME-FLIBITNWSA-N
MW254.45 g/mol
LogP3.34
Rot. Bonds5

About (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol

(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol (PubChem CID 10244062) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol.

Molecular Properties

Compound Name(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol
PubChem CID10244062
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol
SMILESCC#CC(O)/C=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11,13,15H,9,12H2,1-6H3/b11-8-
InChIKeyPHNPTAYSHKIGME-FLIBITNWSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol with MolForge

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4-fluorohept-4-en-1-yn-3-ol
CID 20063419
7-(Tert-butyldimethylsilyloxy)-4-fluoro-3-hydroxy-4-hepten-1-yne
CID 53888854
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
CID 11137773
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(1E,4E)-1-triethylsilylhexa-1,4-dien-3-ol
CID 14935612
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol
CID 54597347
(Z,2R)-1-trimethylsilylpent-3-en-2-ol
CID 71473119

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol?
The IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol (CID 10244062) is (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol.
What is the SMILES notation for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol?
The canonical SMILES for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol is CC#CC(O)/C=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol?
The InChIKey is PHNPTAYSHKIGME-FLIBITNWSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-13(15)11-8-9-12-16-17(5,6)14(2,3)4/h8,11,13,15H,9,12H2,1-6H3/b11-8-.
What are the key properties of (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol?
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol has a molecular weight of 254.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-5-en-2-yn-4-ol is sourced from PubChem (CID 10244062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).