nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate

C17H32O5 — CID 91693511

IUPACnonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
SMILESCCCCCCCCCOC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C17H32O5/c1-4-5-6-7-8-9-10-11-21-16(18)13-20-14-17(19)22-12-15(2)3/h15H,4-14H2,1-3H3
InChIKeyMNOMARDZEZXEBH-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.50
Rot. Bonds14

About nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate

nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate (PubChem CID 91693511) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Namenonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
PubChem CID91693511
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namenonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
SMILESCCCCCCCCCOC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C17H32O5/c1-4-5-6-7-8-9-10-11-21-16(18)13-20-14-17(19)22-12-15(2)3/h15H,4-14H2,1-3H3
InChIKeyMNOMARDZEZXEBH-UHFFFAOYSA-N
XLogP3.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
hexyl 2-[2-(2-methylbutoxy)-2-oxoethoxy]acetate
CID 91691613
4-O-(2-methylpropyl) 1-O-octyl butanedioate
CID 91701618
1-O-hexyl 4-O-(2-methylpropyl) butanedioate
CID 91701616
1-O-heptyl 4-O-(2-methylpropyl) butanedioate
CID 91701617
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362
decyl 2-[2-(3,7-dimethyloctoxy)-2-oxoethoxy]acetate
CID 91714977
2-methylpropyl 2-(2-octan-2-yloxy-2-oxoethoxy)acetate
CID 91693507
butyl 2-[2-(2-methylpropoxy)ethoxy]acetate
CID 106446661
tetradecyl 2-[2-(hydroxymethoxy)-2-oxoethoxy]acetate
CID 163950026
pentyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate
CID 91693160

Frequently Asked Questions

What is the IUPAC name of nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The IUPAC name of nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate (CID 91693511) is nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The canonical SMILES for nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate is CCCCCCCCCOC(=O)COCC(=O)OCC(C)C.
What is the InChIKey of nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The InChIKey is MNOMARDZEZXEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-4-5-6-7-8-9-10-11-21-16(18)13-20-14-17(19)22-12-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate has a molecular weight of 316.44 g/mol, XLogP of 3.50, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91693511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).