tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate

C19H36O3Si — CID 122217763

IUPACtert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate
SMILESC=C[C@@]1(C)CCC[C@](C)(O[Si](C)(C)C)[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-10-18(5)12-11-13-19(6,22-23(7,8)9)15(18)14-16(20)21-17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,18-,19-/m0/s1
InChIKeyKZBHRWHVXDGBMW-SNRMKQJTSA-N
MW340.58 g/mol
LogP5.32
Rot. Bonds5

About tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate

tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate (PubChem CID 122217763) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate
PubChem CID122217763
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate
SMILESC=C[C@@]1(C)CCC[C@](C)(O[Si](C)(C)C)[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-10-18(5)12-11-13-19(6,22-23(7,8)9)15(18)14-16(20)21-17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,18-,19-/m0/s1
InChIKeyKZBHRWHVXDGBMW-SNRMKQJTSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]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

ethyl (1S,2S,4aR,6S,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate
CID 10250799
2-[(1R,3S,4S)-3,4-bis(ethenyl)-3,4-dimethylcyclohexyl]propan-2-yl hexadecanoate
CID 57407356
methyl 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylcyclohexyl]acetate
CID 101714244
tert-butyl 2-[(1S,2R,6S)-2-ethenyl-6-hydroxy-2,6-dimethylcyclohexyl]acetate
CID 177401980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate?
The IUPAC name of tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate (CID 122217763) is tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate.
What is the SMILES notation for tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate?
The canonical SMILES for tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate is C=C[C@@]1(C)CCC[C@](C)(O[Si](C)(C)C)[C@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate?
The InChIKey is KZBHRWHVXDGBMW-SNRMKQJTSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-10-18(5)12-11-13-19(6,22-23(7,8)9)15(18)14-16(20)21-17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,18-,19-/m0/s1.
What are the key properties of tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate?
tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate has a molecular weight of 340.58 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S,2R,6S)-2-ethenyl-2,6-dimethyl-6-trimethylsilyloxycyclohexyl]acetate is sourced from PubChem (CID 122217763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).