(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol

C13H20OSi — CID 102200295

IUPAC(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol
SMILESC=C(C)C#C[C@H](O)CCC#C[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-12(2)9-10-13(14)8-6-7-11-15(3,4)5/h13-14H,1,6,8H2,2-5H3/t13-/m1/s1
InChIKeyZMDRHGBIFGYWBT-CYBMUJFWSA-N
MW220.39 g/mol
LogP2.59
Rot. Bonds2

About (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol

(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol (PubChem CID 102200295) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol.

Molecular Properties

Compound Name(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol
PubChem CID102200295
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol
SMILESC=C(C)C#C[C@H](O)CCC#C[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-12(2)9-10-13(14)8-6-7-11-15(3,4)5/h13-14H,1,6,8H2,2-5H3/t13-/m1/s1
InChIKeyZMDRHGBIFGYWBT-CYBMUJFWSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol?
The IUPAC name of (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol (CID 102200295) is (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol.
What is the SMILES notation for (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol?
The canonical SMILES for (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol is C=C(C)C#C[C@H](O)CCC#C[Si](C)(C)C.
What is the InChIKey of (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol?
The InChIKey is ZMDRHGBIFGYWBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20OSi/c1-12(2)9-10-13(14)8-6-7-11-15(3,4)5/h13-14H,1,6,8H2,2-5H3/t13-/m1/s1.
What are the key properties of (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol?
(5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol has a molecular weight of 220.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-9-trimethylsilylnon-1-en-3,8-diyn-5-ol is sourced from PubChem (CID 102200295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).