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

C17H34O2Si2 — CID 11823596

IUPAC(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol
SMILESC=C(C[C@H](O)C#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-14(13-16(18)11-12-20(6,7)8)15(2)19-21(9,10)17(3,4)5/h15-16,18H,1,13H2,2-10H3/t15-,16-/m1/s1
InChIKeyACFJBMWITSWAOW-HZPDHXFCSA-N
MW326.63 g/mol
LogP4.58
Rot. Bonds5

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

(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol (PubChem CID 11823596) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol
PubChem CID11823596
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol
SMILESC=C(C[C@H](O)C#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-14(13-16(18)11-12-20(6,7)8)15(2)19-21(9,10)17(3,4)5/h15-16,18H,1,13H2,2-10H3/t15-,16-/m1/s1
InChIKeyACFJBMWITSWAOW-HZPDHXFCSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.58
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,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The IUPAC name of (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol (CID 11823596) is (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol.
What is the SMILES notation for (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The canonical SMILES for (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol is C=C(C[C@H](O)C#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The InChIKey is ACFJBMWITSWAOW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-14(13-16(18)11-12-20(6,7)8)15(2)19-21(9,10)17(3,4)5/h15-16,18H,1,13H2,2-10H3/t15-,16-/m1/s1.
What are the key properties of (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol?
(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol has a molecular weight of 326.63 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-1-trimethylsilylhept-1-yn-3-ol is sourced from PubChem (CID 11823596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).