methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate

C14H26O3Si — CID 171461762

IUPACmethyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m1/s1
InChIKeyIMEHOZAKGUYKCT-NEPJUHHUSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds3

About methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate

methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate (PubChem CID 171461762) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
PubChem CID171461762
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@H]1CC=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m1/s1
InChIKeyIMEHOZAKGUYKCT-NEPJUHHUSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
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'}

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Related Compounds

ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
methyl (1S,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 10921824
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
Ethyl 4-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448645
Ethyl 3-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448646
methyl (E,2R,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720960
methyl (E,2S,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720961
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(3R,3aS,7R,7aS)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101603758
methyl (1R,5R)-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 102198541
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 102392364

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate (CID 171461762) is methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@H]1CC=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
The InChIKey is IMEHOZAKGUYKCT-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-9-7-8-11(10-12)13(15)16-4/h7,9,11-12H,8,10H2,1-6H3/t11-,12+/m1/s1.
What are the key properties of methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate?
methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate has a molecular weight of 270.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 171461762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).