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

C16H30O2Si — CID 14309684

IUPAC[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
SMILESCCC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-14(17)18-15(13-11-9-8-10-12-13)19(5,6)16(2,3)4/h11,15H,7-10,12H2,1-6H3
InChIKeyZPGGNGGQDZHUOW-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds4

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

[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate (PubChem CID 14309684) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate.

Molecular Properties

Compound Name[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
PubChem CID14309684
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
SMILESCCC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-7-14(17)18-15(13-11-9-8-10-12-13)19(5,6)16(2,3)4/h11,15H,7-10,12H2,1-6H3
InChIKeyZPGGNGGQDZHUOW-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.86
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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Related Compounds

1-cyclohexenylmethyl Acetate
CID 10063295
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
[(E)-3-methyl-5-(2-trimethylsilylcyclopropen-1-yl)pent-2-enyl] 2,2-dimethylpropanoate
CID 134997827
(5-Methyl-2-trimethylsilylcyclohexa-1,4-dien-1-yl)methyl acetate
CID 134999310
(4-Methyl-2-trimethylsilylcyclohexa-1,4-dien-1-yl)methyl acetate
CID 134999429
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
(3-Methylcyclohex-2-en-1-yl) 2-methyl-5-trimethylsilylpent-4-ynoate
CID 135028459
ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
CID 10356686
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 10883525
[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177435753

Frequently Asked Questions

What is the IUPAC name of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate?
The IUPAC name of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate (CID 14309684) is [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate.
What is the SMILES notation for [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate?
The canonical SMILES for [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate is CCC(=O)OC(C1=CCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate?
The InChIKey is ZPGGNGGQDZHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-14(17)18-15(13-11-9-8-10-12-13)19(5,6)16(2,3)4/h11,15H,7-10,12H2,1-6H3.
What are the key properties of [[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate?
[[tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate has a molecular weight of 282.50 g/mol, XLogP of 4.86, 4 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] propanoate is sourced from PubChem (CID 14309684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).