ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate

C20H40O5Si — CID 10068878

IUPACethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)C(O)CCCCCCOC1CCCCO1
InChIInChI=1S/C20H40O5Si/c1-5-23-20(22)17(16-26(2,3)4)18(21)12-8-6-7-10-14-24-19-13-9-11-15-25-19/h17-19,21H,5-16H2,1-4H3
InChIKeyRDLJGRAKEWJGCC-UHFFFAOYSA-N
MW388.62 g/mol
LogP4.36
Rot. Bonds13

About ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate

ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate (PubChem CID 10068878) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate
PubChem CID10068878
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Nameethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate
SMILESCCOC(=O)C(C[Si](C)(C)C)C(O)CCCCCCOC1CCCCO1
InChIInChI=1S/C20H40O5Si/c1-5-23-20(22)17(16-26(2,3)4)18(21)12-8-6-7-10-14-24-19-13-9-11-15-25-19/h17-19,21H,5-16H2,1-4H3
InChIKeyRDLJGRAKEWJGCC-UHFFFAOYSA-N
XLogP4.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate?
The IUPAC name of ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate (CID 10068878) is ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate.
What is the SMILES notation for ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate?
The canonical SMILES for ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate is CCOC(=O)C(C[Si](C)(C)C)C(O)CCCCCCOC1CCCCO1.
What is the InChIKey of ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate?
The InChIKey is RDLJGRAKEWJGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-5-23-20(22)17(16-26(2,3)4)18(21)12-8-6-7-10-14-24-19-13-9-11-15-25-19/h17-19,21H,5-16H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate?
ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate has a molecular weight of 388.62 g/mol, XLogP of 4.36, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)nonanoate is sourced from PubChem (CID 10068878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).