(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol

C14H26O2Si — CID 11043307

IUPAC(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol
SMILESC#CC[C@@H](O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-10-12(15)11-13(9-2)16-17(6,7)14(3,4)5/h1,9,12-13,15H,2,10-11H2,3-7H3/t12-,13-/m1/s1
InChIKeyUDQXWNYZSMUQDF-CHWSQXEVSA-N
MW254.45 g/mol
LogP3.34
Rot. Bonds6

About (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol

(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol (PubChem CID 11043307) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol
PubChem CID11043307
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol
SMILESC#CC[C@@H](O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-8-10-12(15)11-13(9-2)16-17(6,7)14(3,4)5/h1,9,12-13,15H,2,10-11H2,3-7H3/t12-,13-/m1/s1
InChIKeyUDQXWNYZSMUQDF-CHWSQXEVSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': '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 (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol?
The IUPAC name of (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol (CID 11043307) is (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol.
What is the SMILES notation for (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol?
The canonical SMILES for (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol is C#CC[C@@H](O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol?
The InChIKey is UDQXWNYZSMUQDF-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-10-12(15)11-13(9-2)16-17(6,7)14(3,4)5/h1,9,12-13,15H,2,10-11H2,3-7H3/t12-,13-/m1/s1.
What are the key properties of (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol?
(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol has a molecular weight of 254.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-1-yn-4-ol is sourced from PubChem (CID 11043307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).