methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate

C14H26O3Si — CID 10516229

IUPACmethyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@]12C[C@H]1C(C)(C)O[Si]2(C(C)C)C(C)C
InChIInChI=1S/C14H26O3Si/c1-9(2)18(10(3)4)14(12(15)16-7)8-11(14)13(5,6)17-18/h9-11H,8H2,1-7H3/t11-,14-/m0/s1
InChIKeySUVXFPXBTBYFHS-FZMZJTMJSA-N
MW270.44 g/mol
LogP3.49
Rot. Bonds3

About methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate

methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 10516229) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID10516229
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Namemethyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@]12C[C@H]1C(C)(C)O[Si]2(C(C)C)C(C)C
InChIInChI=1S/C14H26O3Si/c1-9(2)18(10(3)4)14(12(15)16-7)8-11(14)13(5,6)17-18/h9-11H,8H2,1-7H3/t11-,14-/m0/s1
InChIKeySUVXFPXBTBYFHS-FZMZJTMJSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1S,5S)-4,4-dimethyl-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 4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 85256432
methyl (1S,5S)-4-methyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate
CID 10753590
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 (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate (CID 10516229) is methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)[C@]12C[C@H]1C(C)(C)O[Si]2(C(C)C)C(C)C.
What is the InChIKey of methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is SUVXFPXBTBYFHS-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-9(2)18(10(3)4)14(12(15)16-7)8-11(14)13(5,6)17-18/h9-11H,8H2,1-7H3/t11-,14-/m0/s1.
What are the key properties of methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate?
methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 270.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S)-4,4-dimethyl-2,2-di(propan-2-yl)-3-oxa-2-silabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 10516229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).