methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate

C16H32O4Si — CID 67690442

IUPACmethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
SMILESCOC(=O)CCC1CCCC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-12-14-9-7-8-13(20-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyOROFLZHTFVDOBQ-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds6

About methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate

methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate (PubChem CID 67690442) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
PubChem CID67690442
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate
SMILESCOC(=O)CCC1CCCC(CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-12-14-9-7-8-13(20-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3
InChIKeyOROFLZHTFVDOBQ-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate?
The IUPAC name of methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate (CID 67690442) is methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate?
The canonical SMILES for methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate is COC(=O)CCC1CCCC(CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate?
The InChIKey is OROFLZHTFVDOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-16(2,3)21(5,6)19-12-14-9-7-8-13(20-14)10-11-15(17)18-4/h13-14H,7-12H2,1-6H3.
What are the key properties of methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate?
methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate has a molecular weight of 316.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanoate is sourced from PubChem (CID 67690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).