(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol

C11H20O2Si — CID 11052978

IUPAC(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-5-10(12)9-11(13)7-6-8-14(2,3)4/h5,10-13H,1,7,9H2,2-4H3/t10-,11-/m1/s1
InChIKeyCESNDMWFCDHRBE-GHMZBOCLSA-N
MW212.36 g/mol
LogP1.56
Rot. Bonds4

About (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol

(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol (PubChem CID 11052978) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol.

Molecular Properties

Compound Name(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
PubChem CID11052978
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
SMILESC=C[C@@H](O)C[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-5-10(12)9-11(13)7-6-8-14(2,3)4/h5,10-13H,1,7,9H2,2-4H3/t10-,11-/m1/s1
InChIKeyCESNDMWFCDHRBE-GHMZBOCLSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
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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Related Compounds

(E,3R)-1-trimethylsilyloct-1-en-3-ol
CID 10878190
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 24822910
(3S,5R)-7-(Trimethylsilyl)hept-1-en-6-yne-3,5-diol
CID 56924135
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(E,3S)-1-triethylsilyloct-1-en-3-ol
CID 10377101
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(E)-1-trimethylsilyloct-1-en-3-ol
CID 12696502
(E)-1-triethylsilyloct-1-en-3-ol
CID 15642398
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 44550535
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(3R,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
CID 102300469

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol?
The IUPAC name of (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol (CID 11052978) is (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol.
What is the SMILES notation for (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol?
The canonical SMILES for (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol is C=C[C@@H](O)C[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol?
The InChIKey is CESNDMWFCDHRBE-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-5-10(12)9-11(13)7-6-8-14(2,3)4/h5,10-13H,1,7,9H2,2-4H3/t10-,11-/m1/s1.
What are the key properties of (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol?
(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol has a molecular weight of 212.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol is sourced from PubChem (CID 11052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).