methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate

C15H26O3Si — CID 134856912

IUPACmethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate
SMILESCOC(=O)C1=CC2C(CO[Si](C)(C)C(C)(C)C)C2C1
InChIInChI=1S/C15H26O3Si/c1-15(2,3)19(5,6)18-9-13-11-7-10(8-12(11)13)14(16)17-4/h7,11-13H,8-9H2,1-6H3
InChIKeySXHRNWOBGNVLQM-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.37
Rot. Bonds4

About methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate

methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate (PubChem CID 134856912) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate
PubChem CID134856912
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Namemethyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate
SMILESCOC(=O)C1=CC2C(CO[Si](C)(C)C(C)(C)C)C2C1
InChIInChI=1S/C15H26O3Si/c1-15(2,3)19(5,6)18-9-13-11-7-10(8-12(11)13)14(16)17-4/h7,11-13H,8-9H2,1-6H3
InChIKeySXHRNWOBGNVLQM-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate with MolForge

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Related Compounds

Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
Ethyl 3-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 13379872
Ethyl bicyclo[3.1.0]hex-2-ene-3-carboxylate
CID 129671397
methyl (1S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 135000620
Methyl 3-trimethylsilylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 135004196
Ethyl 2-[(3-trimethylsilyloxycyclohex-3-en-1-yl)methyl]prop-2-enoate
CID 9971035
Methyl 3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 15202875
3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 69434520
2-Trimethylsilylpropyl bicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 69775029
3-Trimethoxysilylpropyl bicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 77652010
Ethyl 4-methylcyclohexene-1-carboxylate
CID 85834664

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate?
The IUPAC name of methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate (CID 134856912) is methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate.
What is the SMILES notation for methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate?
The canonical SMILES for methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate is COC(=O)C1=CC2C(CO[Si](C)(C)C(C)(C)C)C2C1.
What is the InChIKey of methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate?
The InChIKey is SXHRNWOBGNVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-15(2,3)19(5,6)18-9-13-11-7-10(8-12(11)13)14(16)17-4/h7,11-13H,8-9H2,1-6H3.
What are the key properties of methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate?
methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate has a molecular weight of 282.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hex-2-ene-3-carboxylate is sourced from PubChem (CID 134856912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).