methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate

C13H24O3Si — CID 85256432

IUPACmethyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1C(C)O[Si]2(C(C)C)C(C)C
InChIInChI=1S/C13H24O3Si/c1-8(2)17(9(3)4)13(12(14)15-6)7-11(13)10(5)16-17/h8-11H,7H2,1-6H3
InChIKeyUWZJIEIIGVULQK-UHFFFAOYSA-N
MW256.42 g/mol
LogP3.10
Rot. Bonds3

About methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate

methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 85256432) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID85256432
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)C12CC1C(C)O[Si]2(C(C)C)C(C)C
InChIInChI=1S/C13H24O3Si/c1-8(2)17(9(3)4)13(12(14)15-6)7-11(13)10(5)16-17/h8-11H,7H2,1-6H3
InChIKeyUWZJIEIIGVULQK-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate with MolForge

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Related Compounds

Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
Ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
Methyl 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclopentanecarboxylate
CID 153693164
trans-methyl (1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 173554603
methyl (1S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 173880289
methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 10516229
methyl (1S,5S)-4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 10753590
(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-one
CID 11118754
Methyl 4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 85168249

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate (CID 85256432) is methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)C12CC1C(C)O[Si]2(C(C)C)C(C)C.
What is the InChIKey of methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is UWZJIEIIGVULQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8(2)17(9(3)4)13(12(14)15-6)7-11(13)10(5)16-17/h8-11H,7H2,1-6H3.
What are the key properties of methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 256.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 85256432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).