methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate

C20H40O4Si — CID 70021597

IUPACmethyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
SMILESCOC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C1CCCO1
InChIInChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-16-11-9-7-8-10-13-17(19(21)22-4)18-14-12-15-23-18/h17-18H,7-16H2,1-6H3
InChIKeyDCHPGKWIAJWBBN-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.32
Rot. Bonds11

About methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate

methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate (PubChem CID 70021597) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate.

Molecular Properties

Compound Namemethyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
PubChem CID70021597
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namemethyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate
SMILESCOC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C1CCCO1
InChIInChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-16-11-9-7-8-10-13-17(19(21)22-4)18-14-12-15-23-18/h17-18H,7-16H2,1-6H3
InChIKeyDCHPGKWIAJWBBN-UHFFFAOYSA-N
XLogP5.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.32
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate?
The IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate (CID 70021597) is methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate.
What is the SMILES notation for methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate?
The canonical SMILES for methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate is COC(=O)C(CCCCCCCO[Si](C)(C)C(C)(C)C)C1CCCO1.
What is the InChIKey of methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate?
The InChIKey is DCHPGKWIAJWBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-20(2,3)25(5,6)24-16-11-9-7-8-10-13-17(19(21)22-4)18-14-12-15-23-18/h17-18H,7-16H2,1-6H3.
What are the key properties of methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate?
methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate has a molecular weight of 372.62 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[tert-butyl(dimethyl)silyl]oxy-2-(oxolan-2-yl)nonanoate is sourced from PubChem (CID 70021597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).