ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate

C20H38O3Si — CID 23250776

IUPACethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate
SMILESCCOC(=O)/C=C1\[C@H](C)CC[C@@H](C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-22-18(21)13-17-15(4)11-12-16(14(2)3)19(17)23-24(8,9)20(5,6)7/h13-16,19H,10-12H2,1-9H3/b17-13+/t15-,16+,19+/m1/s1
InChIKeyDBXHWUJNMHGNGX-FERZYLKCSA-N
MW354.61 g/mol
LogP5.57
Rot. Bonds5

About ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate

ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate (PubChem CID 23250776) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate
PubChem CID23250776
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nameethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate
SMILESCCOC(=O)/C=C1\[C@H](C)CC[C@@H](C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-22-18(21)13-17-15(4)11-12-16(14(2)3)19(17)23-24(8,9)20(5,6)7/h13-16,19H,10-12H2,1-9H3/b17-13+/t15-,16+,19+/m1/s1
InChIKeyDBXHWUJNMHGNGX-FERZYLKCSA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate (CID 23250776) is ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate is CCOC(=O)/C=C1\[C@H](C)CC[C@@H](C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate?
The InChIKey is DBXHWUJNMHGNGX-FERZYLKCSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-10-22-18(21)13-17-15(4)11-12-16(14(2)3)19(17)23-24(8,9)20(5,6)7/h13-16,19H,10-12H2,1-9H3/b17-13+/t15-,16+,19+/m1/s1.
What are the key properties of ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate?
ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate has a molecular weight of 354.61 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2S,3S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3-propan-2-ylcyclohexylidene]acetate is sourced from PubChem (CID 23250776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).