[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate

C15H28O2Si — CID 135040256

IUPAC[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
SMILESC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C=CCCC1
InChIInChI=1S/C15H28O2Si/c1-12(13-10-8-7-9-11-13)14(16)17-18(5,6)15(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13+/m1/s1
InChIKeyZFNFFIRXYOOEBJ-OLZOCXBDSA-N
MW268.47 g/mol
LogP4.53
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate

[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate (PubChem CID 135040256) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
PubChem CID135040256
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
SMILESC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C=CCCC1
InChIInChI=1S/C15H28O2Si/c1-12(13-10-8-7-9-11-13)14(16)17-18(5,6)15(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13+/m1/s1
InChIKeyZFNFFIRXYOOEBJ-OLZOCXBDSA-N
XLogP4.53
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 ≤ 54.53
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 [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate 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

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trimethylsilyl ester
CID 14391647
Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Trimethylsilyl cyclohex-3-ene-1-carboxylate
CID 67666049
11-Methyloctadec-12-enoic acid trimethylsilyl ester
CID 129821971
cis-7,10,13,16-Docosatetraenoic acid, tert-butyldimethylsilyl ester
CID 91697184
[Tert-butyl(dimethyl)silyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23136045
2-[(1R,4R)-4-methylcyclohex-2-en-1-yl]propanoic acid
CID 11457906
methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate
CID 102450626
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
CID 134901015
[tert-butyl(dimethyl)silyl] (2S)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135018892
6-Hexadecenoic acid, 14-methyl, trimethylsilyl ester
CID 5352340
6-Pentadecenoic acid, 14-methyl, trimethylsilyl ester
CID 5352343

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate (CID 135040256) is [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate is C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H]1C=CCCC1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate?
The InChIKey is ZFNFFIRXYOOEBJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12(13-10-8-7-9-11-13)14(16)17-18(5,6)15(2,3)4/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate?
[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate has a molecular weight of 268.47 g/mol, XLogP of 4.53, 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] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate is sourced from PubChem (CID 135040256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).