(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol

C14H26OSi — CID 99771467

IUPAC(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol
SMILESC=CCC[C@@H](O)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-10-13(15)14(2,3)11-9-12-16(4,5)6/h7,13,15H,1,8,10-11H2,2-6H3/t13-/m1/s1
InChIKeyVUQMSLNZKHUGHZ-CYBMUJFWSA-N
MW238.45 g/mol
LogP3.61
Rot. Bonds5

About (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol

(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol (PubChem CID 99771467) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol.

Molecular Properties

Compound Name(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol
PubChem CID99771467
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol
SMILESC=CCC[C@@H](O)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-8-10-13(15)14(2,3)11-9-12-16(4,5)6/h7,13,15H,1,8,10-11H2,2-6H3/t13-/m1/s1
InChIKeyVUQMSLNZKHUGHZ-CYBMUJFWSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol?
The IUPAC name of (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol (CID 99771467) is (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol.
What is the SMILES notation for (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol?
The canonical SMILES for (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol is C=CCC[C@@H](O)C(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol?
The InChIKey is VUQMSLNZKHUGHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26OSi/c1-7-8-10-13(15)14(2,3)11-9-12-16(4,5)6/h7,13,15H,1,8,10-11H2,2-6H3/t13-/m1/s1.
What are the key properties of (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol?
(5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol has a molecular weight of 238.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-dimethyl-9-trimethylsilylnon-1-en-8-yn-5-ol is sourced from PubChem (CID 99771467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).