(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate

C15H26O2Si — CID 101413584

IUPAC(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate
SMILESCC(=O)OC(C#CC[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C15H26O2Si/c1-13(16)17-15(11-8-12-18(2,3)4)14-9-6-5-7-10-14/h14-15H,5-7,9-10,12H2,1-4H3
InChIKeyGAGQEDQWDQLTDM-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.84
Rot. Bonds3

About (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate

(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate (PubChem CID 101413584) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate.

Molecular Properties

Compound Name(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate
PubChem CID101413584
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate
SMILESCC(=O)OC(C#CC[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C15H26O2Si/c1-13(16)17-15(11-8-12-18(2,3)4)14-9-6-5-7-10-14/h14-15H,5-7,9-10,12H2,1-4H3
InChIKeyGAGQEDQWDQLTDM-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate?
The IUPAC name of (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate (CID 101413584) is (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate.
What is the SMILES notation for (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate?
The canonical SMILES for (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate is CC(=O)OC(C#CC[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate?
The InChIKey is GAGQEDQWDQLTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-13(16)17-15(11-8-12-18(2,3)4)14-9-6-5-7-10-14/h14-15H,5-7,9-10,12H2,1-4H3.
What are the key properties of (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate?
(1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate has a molecular weight of 266.46 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-4-trimethylsilylbut-2-ynyl) acetate is sourced from PubChem (CID 101413584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).