[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate

C13H22O3Si — CID 139649648

IUPAC[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
SMILESC=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C13H22O3Si/c1-6-12(15)10-13(16-11(2)14)8-7-9-17(3,4)5/h6,12-13,15H,1,8,10H2,2-5H3/t12-,13+/m0/s1
InChIKeyWZHVYAXMVNYFBV-QWHCGFSZSA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds5

About [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate

[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate (PubChem CID 139649648) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate.

Molecular Properties

Compound Name[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
PubChem CID139649648
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Name[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
SMILESC=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C13H22O3Si/c1-6-12(15)10-13(16-11(2)14)8-7-9-17(3,4)5/h6,12-13,15H,1,8,10H2,2-5H3/t12-,13+/m0/s1
InChIKeyWZHVYAXMVNYFBV-QWHCGFSZSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Launch Full Analysis

Related Compounds

ethyl (4S)-4-hydroxynon-8-en-2-ynoate
CID 44551289
(3S,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
CID 11052978
[(4R,6S)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649640
[(4R,6R)-6-acetyloxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649642
[(4R,6S)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate
CID 139649643
(3R,5R)-8-trimethylsilyloct-1-en-7-yne-3,5-diol
CID 139649646
Propanoic acid--7-(trimethylsilyl)hept-1-en-6-yn-3-ol (1/1)
CID 71409352
(3S)-6-methoxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 101340002
Ethyl 7-hydroxynon-8-en-2-ynoate
CID 102422765

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The IUPAC name of [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate (CID 139649648) is [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate.
What is the SMILES notation for [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The canonical SMILES for [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate is C=C[C@H](O)C[C@@H](CC#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
The InChIKey is WZHVYAXMVNYFBV-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-6-12(15)10-13(16-11(2)14)8-7-9-17(3,4)5/h6,12-13,15H,1,8,10H2,2-5H3/t12-,13+/m0/s1.
What are the key properties of [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate?
[(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate has a molecular weight of 254.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-hydroxy-1-trimethylsilyloct-7-en-1-yn-4-yl] acetate is sourced from PubChem (CID 139649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).