(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol

C19H38O2Si2 — CID 134879007

IUPAC(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
SMILESC#CC(C)CC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-11-16(2)12-18(20)13-17(15-22(6,7)8)14-21-23(9,10)19(3,4)5/h1,14,16,18,20H,12-13,15H2,2-10H3/b17-14-
InChIKeyHNKODKWPOPNSRE-VKAVYKQESA-N
MW354.68 g/mol
LogP5.64
Rot. Bonds8

About (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol (PubChem CID 134879007) 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-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol.

Molecular Properties

Compound Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
PubChem CID134879007
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol
SMILESC#CC(C)CC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-11-16(2)12-18(20)13-17(15-22(6,7)8)14-21-23(9,10)19(3,4)5/h1,14,16,18,20H,12-13,15H2,2-10H3/b17-14-
InChIKeyHNKODKWPOPNSRE-VKAVYKQESA-N
XLogP5.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol?
The IUPAC name of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol (CID 134879007) is (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol.
What is the SMILES notation for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol?
The canonical SMILES for (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol is C#CC(C)CC(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-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol?
The InChIKey is HNKODKWPOPNSRE-VKAVYKQESA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-11-16(2)12-18(20)13-17(15-22(6,7)8)14-21-23(9,10)19(3,4)5/h1,14,16,18,20H,12-13,15H2,2-10H3/b17-14-.
What are the key properties of (Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol?
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol has a molecular weight of 354.68 g/mol, XLogP of 5.64, 8 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-6-methyl-2-(trimethylsilylmethyl)oct-1-en-7-yn-4-ol is sourced from PubChem (CID 134879007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).