methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate

C16H32O4Si — CID 91752397

IUPACmethyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
SMILESCOC(=O)CCCCCCCCC1OC1CO[Si](C)(C)C
InChIInChI=1S/C16H32O4Si/c1-18-16(17)12-10-8-6-5-7-9-11-14-15(20-14)13-19-21(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyVPTIWFTZSSFKGU-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds12

About methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate

methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate (PubChem CID 91752397) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate.

Molecular Properties

Compound Namemethyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
PubChem CID91752397
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate
SMILESCOC(=O)CCCCCCCCC1OC1CO[Si](C)(C)C
InChIInChI=1S/C16H32O4Si/c1-18-16(17)12-10-8-6-5-7-9-11-14-15(20-14)13-19-21(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyVPTIWFTZSSFKGU-UHFFFAOYSA-N
XLogP3.90
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The IUPAC name of methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate (CID 91752397) is methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate.
What is the SMILES notation for methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The canonical SMILES for methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate is COC(=O)CCCCCCCCC1OC1CO[Si](C)(C)C.
What is the InChIKey of methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
The InChIKey is VPTIWFTZSSFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-18-16(17)12-10-8-6-5-7-9-11-14-15(20-14)13-19-21(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate?
methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate has a molecular weight of 316.51 g/mol, XLogP of 3.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[3-(trimethylsilyloxymethyl)oxiran-2-yl]nonanoate is sourced from PubChem (CID 91752397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).