(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol

C19H38O2Si2 — CID 11325698

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
SMILESC#CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-11-12-13-18(20)14-17(16-22(5,6)7)15-21-23(8,9)19(2,3)4/h1,15,18,20H,11-14,16H2,2-9H3/b17-15-
InChIKeyGWLFEJNQKUYHCD-ICFOKQHNSA-N
MW354.68 g/mol
LogP5.78
Rot. Bonds9

About (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol (PubChem CID 11325698) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
PubChem CID11325698
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
SMILESC#CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-11-12-13-18(20)14-17(16-22(5,6)7)15-21-23(8,9)19(2,3)4/h1,15,18,20H,11-14,16H2,2-9H3/b17-15-
InChIKeyGWLFEJNQKUYHCD-ICFOKQHNSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
CID 11174922
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
CID 134879007
6-[Tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
CID 139252747
2-[Tert-butyl(dimethyl)silyl]oxydodec-11-en-3-yn-6-ol
CID 11130719
(4S,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
CID 11155269
(4S,6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
CID 11190268
(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol
CID 11823596
(E,7E)-10-[tert-butyl(dimethyl)silyl]oxy-7-(trimethylsilylmethylidene)dec-9-en-5-ol
CID 101104977
2-[Bis(trimethylsilyl)methyl]non-1-en-4-ol
CID 101415728
(4R,6R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
CID 101952593
(4R,6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-tri(propan-2-yl)silyloxydec-1-en-9-yn-4-ol
CID 101952594
9-[Tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
CID 132536879

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol (CID 11325698) is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol is C#CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol?
The InChIKey is GWLFEJNQKUYHCD-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-10-11-12-13-18(20)14-17(16-22(5,6)7)15-21-23(8,9)19(2,3)4/h1,15,18,20H,11-14,16H2,2-9H3/b17-15-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol?
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol has a molecular weight of 354.68 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol is sourced from PubChem (CID 11325698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).