ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate

C17H32O3Si — CID 58370690

IUPACethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate
SMILESCCOC(=O)/C=C1/C[C@@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)12-14-9-13(2)10-15(11-14)20-21(6,7)17(3,4)5/h12-13,15H,8-11H2,1-7H3/b14-12-/t13-,15+/m1/s1
InChIKeyALLRAXSXOLNAPD-OKNRNPQYSA-N
MW312.53 g/mol
LogP4.69
Rot. Bonds4

About ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate

ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate (PubChem CID 58370690) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate
PubChem CID58370690
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate
SMILESCCOC(=O)/C=C1/C[C@@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)12-14-9-13(2)10-15(11-14)20-21(6,7)17(3,4)5/h12-13,15H,8-11H2,1-7H3/b14-12-/t13-,15+/m1/s1
InChIKeyALLRAXSXOLNAPD-OKNRNPQYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.69
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 (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]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 (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate (CID 58370690) is ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate is CCOC(=O)/C=C1/C[C@@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate?
The InChIKey is ALLRAXSXOLNAPD-OKNRNPQYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-19-16(18)12-14-9-13(2)10-15(11-14)20-21(6,7)17(3,4)5/h12-13,15H,8-11H2,1-7H3/b14-12-/t13-,15+/m1/s1.
What are the key properties of ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate?
ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate has a molecular weight of 312.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexylidene]acetate is sourced from PubChem (CID 58370690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).