trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate

C15H28O3Si — CID 10062449

IUPACtrans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CC[C@H](C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-11-8-9-12(14(16)17-5)13(10-11)18-19(6,7)15(2,3)4/h12-13H,1,8-10H2,2-7H3/t12-,13-/m0/s1
InChIKeyBOXFLPLMPKZGHX-STQMWFEESA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds3

About trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate

trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate (PubChem CID 10062449) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate
PubChem CID10062449
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nametrans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate
SMILESC=C1CC[C@H](C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-11-8-9-12(14(16)17-5)13(10-11)18-19(6,7)15(2,3)4/h12-13H,1,8-10H2,2-7H3/t12-,13-/m0/s1
InChIKeyBOXFLPLMPKZGHX-STQMWFEESA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
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

Methyl (3R)-3-(tert-butyldimethylsiloxy)-6-methyl-6-heptenoate
CID 134780962
3-Methylene-cyclohexanecarboxylic acid 2-trimethylsilanyl-ethyl ester
CID 59733752
trans-methyl (2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(hydroxymethylidene)cyclohexane-1-carboxylate
CID 69744122
Methyl 2-methoxy-4-methylidenecyclohexane-1-carboxylate
CID 123922763
2-Trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate
CID 154457133
trans-ethyl (1R,3R)-3-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
CID 10893195
Ethyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclohexane-1-carboxylate
CID 42611801
Ethyl 2-acetyloxy-4-methylidenecyclohexane-1-carboxylate
CID 67629108
trans-methyl (1R,2R)-2-triethylsilyloxycyclohexane-1-carboxylate
CID 101345222
trans-methyl (1S,2S)-2-triethylsilyloxycyclohexane-1-carboxylate
CID 101345223
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
CID 101476822
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
CID 101618209

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate (CID 10062449) is trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate is C=C1CC[C@H](C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate?
The InChIKey is BOXFLPLMPKZGHX-STQMWFEESA-N. The full InChI is InChI=1S/C15H28O3Si/c1-11-8-9-12(14(16)17-5)13(10-11)18-19(6,7)15(2,3)4/h12-13H,1,8-10H2,2-7H3/t12-,13-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate?
trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate has a molecular weight of 284.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 10062449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).