2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol

C14H28OSi — CID 10105719

IUPAC2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol
SMILESCCCC(C#CC(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-12(16(5,6)7)10-11-13(15)14(2,3)4/h12-13,15H,8-9H2,1-7H3
InChIKeyQICDKTLTWIYGIB-UHFFFAOYSA-N
MW240.46 g/mol
LogP3.91
Rot. Bonds3

About 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol

2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol (PubChem CID 10105719) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol
PubChem CID10105719
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol
SMILESCCCC(C#CC(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-12(16(5,6)7)10-11-13(15)14(2,3)4/h12-13,15H,8-9H2,1-7H3
InChIKeyQICDKTLTWIYGIB-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.91
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 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol?
The IUPAC name of 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol (CID 10105719) is 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol.
What is the SMILES notation for 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol?
The canonical SMILES for 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol is CCCC(C#CC(O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol?
The InChIKey is QICDKTLTWIYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-9-12(16(5,6)7)10-11-13(15)14(2,3)4/h12-13,15H,8-9H2,1-7H3.
What are the key properties of 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol?
2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol has a molecular weight of 240.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-trimethylsilylnon-4-yn-3-ol is sourced from PubChem (CID 10105719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).