2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol

C10H18OSi — CID 13443335

IUPAC2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
SMILESC=C(C)C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h10-11H,1,7H2,2-5H3
InChIKeyOCLIBYGHANJTJZ-UHFFFAOYSA-N
MW182.34 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol

2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol (PubChem CID 13443335) has the molecular formula C10H18OSi and a molecular weight of 182.34 g/mol. Its IUPAC name is 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol.

Molecular Properties

Compound Name2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
PubChem CID13443335
Molecular FormulaC10H18OSi
Molecular Weight182.34 g/mol
Exact Mass182.11
IUPAC Name2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol
SMILESC=C(C)C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C10H18OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h10-11H,1,7H2,2-5H3
InChIKeyOCLIBYGHANJTJZ-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.34
LogP ≤ 52.19
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 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The IUPAC name of 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol (CID 13443335) is 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol.
What is the SMILES notation for 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The canonical SMILES for 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol is C=C(C)C(O)CC#C[Si](C)(C)C.
What is the InChIKey of 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
The InChIKey is OCLIBYGHANJTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OSi/c1-9(2)10(11)7-6-8-12(3,4)5/h10-11H,1,7H2,2-5H3.
What are the key properties of 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol?
2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol has a molecular weight of 182.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-trimethylsilylhex-1-en-5-yn-3-ol is sourced from PubChem (CID 13443335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).