(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol

C16H32O2Si2 — CID 57389170

IUPAC(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC=C[C@@H](O)C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-10-14(17)13-15(11-12-19(5,6)7)18-20(8,9)16(2,3)4/h10,14-15,17H,1,13H2,2-9H3/t14-,15+/m1/s1
InChIKeyNDOMYHWQATXQEU-CABCVRRESA-N
MW312.60 g/mol
LogP4.19
Rot. Bonds5

About (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol (PubChem CID 57389170) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
PubChem CID57389170
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC=C[C@@H](O)C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si2/c1-10-14(17)13-15(11-12-19(5,6)7)18-20(8,9)16(2,3)4/h10,14-15,17H,1,13H2,2-9H3/t14-,15+/m1/s1
InChIKeyNDOMYHWQATXQEU-CABCVRRESA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.19
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 (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol?
The IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol (CID 57389170) is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol.
What is the SMILES notation for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol?
The canonical SMILES for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol is C=C[C@@H](O)C[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol?
The InChIKey is NDOMYHWQATXQEU-CABCVRRESA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-10-14(17)13-15(11-12-19(5,6)7)18-20(8,9)16(2,3)4/h10,14-15,17H,1,13H2,2-9H3/t14-,15+/m1/s1.
What are the key properties of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol?
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol has a molecular weight of 312.60 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol is sourced from PubChem (CID 57389170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).