methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate

C17H30O3Si — CID 89472490

IUPACmethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(C(=O)OC)C[C@H]1C
InChIInChI=1S/C17H30O3Si/c1-11-10-14(16(18)19-7)13(3)15(12(11)2)20-21(8,9)17(4,5)6/h11,15H,2,10H2,1,3-9H3/t11-,15+/m1/s1
InChIKeyHVGIGDJEFYQUQX-ABAIWWIYSA-N
MW310.51 g/mol
LogP4.46
Rot. Bonds3

About methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate

methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate (PubChem CID 89472490) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate
PubChem CID89472490
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(C(=O)OC)C[C@H]1C
InChIInChI=1S/C17H30O3Si/c1-11-10-14(16(18)19-7)13(3)15(12(11)2)20-21(8,9)17(4,5)6/h11,15H,2,10H2,1,3-9H3/t11-,15+/m1/s1
InChIKeyHVGIGDJEFYQUQX-ABAIWWIYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.46
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 methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate 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 methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate?
The IUPAC name of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate (CID 89472490) is methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate.
What is the SMILES notation for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate?
The canonical SMILES for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate is C=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(C(=O)OC)C[C@H]1C.
What is the InChIKey of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate?
The InChIKey is HVGIGDJEFYQUQX-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-11-10-14(16(18)19-7)13(3)15(12(11)2)20-21(8,9)17(4,5)6/h11,15H,2,10H2,1,3-9H3/t11-,15+/m1/s1.
What are the key properties of methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate?
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carboxylate is sourced from PubChem (CID 89472490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).