(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol

C13H24O2Si — CID 11481868

IUPAC(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
SMILESC/C=C/C[C@H](O)[C@H](CC#C[Si](C)(C)C)OC
InChIInChI=1S/C13H24O2Si/c1-6-7-9-12(14)13(15-2)10-8-11-16(3,4)5/h6-7,12-14H,9-10H2,1-5H3/b7-6+/t12-,13-/m0/s1
InChIKeyDVBJNOMDHNRQEC-XKZLPGLHSA-N
MW240.42 g/mol
LogP2.60
Rot. Bonds5

About (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol

(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol (PubChem CID 11481868) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol.

Molecular Properties

Compound Name(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
PubChem CID11481868
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol
SMILESC/C=C/C[C@H](O)[C@H](CC#C[Si](C)(C)C)OC
InChIInChI=1S/C13H24O2Si/c1-6-7-9-12(14)13(15-2)10-8-11-16(3,4)5/h6-7,12-14H,9-10H2,1-5H3/b7-6+/t12-,13-/m0/s1
InChIKeyDVBJNOMDHNRQEC-XKZLPGLHSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.60
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 (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol?
The IUPAC name of (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol (CID 11481868) is (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol.
What is the SMILES notation for (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol?
The canonical SMILES for (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol is C/C=C/C[C@H](O)[C@H](CC#C[Si](C)(C)C)OC.
What is the InChIKey of (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol?
The InChIKey is DVBJNOMDHNRQEC-XKZLPGLHSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-6-7-9-12(14)13(15-2)10-8-11-16(3,4)5/h6-7,12-14H,9-10H2,1-5H3/b7-6+/t12-,13-/m0/s1.
What are the key properties of (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol?
(E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol has a molecular weight of 240.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5S)-4-methoxy-1-trimethylsilylnon-7-en-1-yn-5-ol is sourced from PubChem (CID 11481868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).