[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate

C15H28O2Si — CID 54443091

IUPAC[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate
SMILESCC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(16)17-14(13-10-8-7-9-11-13)18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3
InChIKeyWPNPOAQUXFKTPW-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds3

About [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate

[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate (PubChem CID 54443091) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate.

Molecular Properties

Compound Name[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate
PubChem CID54443091
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate
SMILESCC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-12(16)17-14(13-10-8-7-9-11-13)18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3
InChIKeyWPNPOAQUXFKTPW-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate?
The IUPAC name of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate (CID 54443091) is [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate.
What is the SMILES notation for [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate?
The canonical SMILES for [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate is CC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate?
The InChIKey is WPNPOAQUXFKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(16)17-14(13-10-8-7-9-11-13)18(5,6)15(2,3)4/h10,14H,7-9,11H2,1-6H3.
What are the key properties of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate?
[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate has a molecular weight of 268.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate is sourced from PubChem (CID 54443091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).