[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate

C16H30O2Si — CID 10779298

IUPAC[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(18-14(2)17)11-12-16(19(3,4)5)15-9-7-6-8-10-15/h11-13,15-16H,6-10H2,1-5H3/b12-11-/t13-,16-/m1/s1
InChIKeyXEALKPSHCRIDQO-QVOBWXDUSA-N
MW282.50 g/mol
LogP4.78
Rot. Bonds5

About [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate

[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate (PubChem CID 10779298) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
PubChem CID10779298
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(18-14(2)17)11-12-16(19(3,4)5)15-9-7-6-8-10-15/h11-13,15-16H,6-10H2,1-5H3/b12-11-/t13-,16-/m1/s1
InChIKeyXEALKPSHCRIDQO-QVOBWXDUSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.78
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'}

Analyze [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z,2R,5S)-5-cyclohexyl-5-[dimethyl(phenyl)silyl]pent-3-en-2-yl] acetate
CID 102124168
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
1-cyclopentylethyl acetate
CID 12705472
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
[(1S)-1-cyclohexylprop-2-enyl] acetate
CID 102474246
[(1R,2S)-1-cyclohexyl-2-iodopropyl] acetate
CID 23254791
2-acetyloxy-2-cyclohexylacetic acid
CID 14528553
butanoic acid;1-cyclohexylethyl acetate
CID 175401865
[(E)-1-cyclohexyl-4-[dimethyl(phenyl)silyl]pent-2-enyl] acetate
CID 10688850
acetyl acetate;(1R)-1-cyclohexylethanol;(1S)-1-cyclohexylethanol;[(1R)-1-cyclohexylethyl] acetate;[(1S)-1-cyclohexylethyl] acetate
CID 158946154
1-cyclohexylbut-3-enyl acetate
CID 11481011
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598

Frequently Asked Questions

What is the IUPAC name of [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate?
The IUPAC name of [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate (CID 10779298) is [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate?
The canonical SMILES for [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate is CC(=O)O[C@H](C)/C=C\[C@H](C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate?
The InChIKey is XEALKPSHCRIDQO-QVOBWXDUSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(18-14(2)17)11-12-16(19(3,4)5)15-9-7-6-8-10-15/h11-13,15-16H,6-10H2,1-5H3/b12-11-/t13-,16-/m1/s1.
What are the key properties of [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate?
[(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate has a molecular weight of 282.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,5S)-5-cyclohexyl-5-trimethylsilylpent-3-en-2-yl] acetate is sourced from PubChem (CID 10779298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).