[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate

C14H26O2Si — CID 18652297

IUPAC[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate
SMILESCC(=O)OC(C1=CCC[C@@H](C)C1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-8-7-9-13(11(10)2)14(16-12(3)15)17(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-,11?,14?/m1/s1
InChIKeyNWBJGGZACGVESZ-CDWSIMAYSA-N
MW254.45 g/mol
LogP3.79
Rot. Bonds3

About [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate

[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate (PubChem CID 18652297) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate.

Molecular Properties

Compound Name[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate
PubChem CID18652297
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate
SMILESCC(=O)OC(C1=CCC[C@@H](C)C1C)[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-10-8-7-9-13(11(10)2)14(16-12(3)15)17(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-,11?,14?/m1/s1
InChIKeyNWBJGGZACGVESZ-CDWSIMAYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.79
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 [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate?
The IUPAC name of [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate (CID 18652297) is [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate.
What is the SMILES notation for [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate?
The canonical SMILES for [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate is CC(=O)OC(C1=CCC[C@@H](C)C1C)[Si](C)(C)C.
What is the InChIKey of [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate?
The InChIKey is NWBJGGZACGVESZ-CDWSIMAYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10-8-7-9-13(11(10)2)14(16-12(3)15)17(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-,11?,14?/m1/s1.
What are the key properties of [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate?
[[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate has a molecular weight of 254.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5R)-5,6-dimethylcyclohexen-1-yl]-trimethylsilylmethyl] acetate is sourced from PubChem (CID 18652297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).