(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol

C13H24O3Si — CID 139649656

IUPAC(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)OCOC
InChIInChI=1S/C13H24O3Si/c1-6-12(14)10-13(16-11-15-2)8-7-9-17(3,4)5/h6,12-14H,1,8,10-11H2,2-5H3/t12-,13-/m1/s1
InChIKeyIMQIZDBBRGGUQT-CHWSQXEVSA-N
MW256.42 g/mol
LogP2.18
Rot. Bonds7

About (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol

(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol (PubChem CID 139649656) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol
PubChem CID139649656
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol
SMILESC=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)OCOC
InChIInChI=1S/C13H24O3Si/c1-6-12(14)10-13(16-11-15-2)8-7-9-17(3,4)5/h6,12-14H,1,8,10-11H2,2-5H3/t12-,13-/m1/s1
InChIKeyIMQIZDBBRGGUQT-CHWSQXEVSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol?
The IUPAC name of (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol (CID 139649656) is (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol.
What is the SMILES notation for (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol?
The canonical SMILES for (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol is C=C[C@@H](O)C[C@@H](CC#C[Si](C)(C)C)OCOC.
What is the InChIKey of (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol?
The InChIKey is IMQIZDBBRGGUQT-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-12(14)10-13(16-11-15-2)8-7-9-17(3,4)5/h6,12-14H,1,8,10-11H2,2-5H3/t12-,13-/m1/s1.
What are the key properties of (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol?
(3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol has a molecular weight of 256.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(methoxymethoxy)-8-trimethylsilyloct-1-en-7-yn-3-ol is sourced from PubChem (CID 139649656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).