decyl 2-[(2-methylpropan-2-yl)oxy]propanoate

C17H34O3 — CID 175299623

IUPACdecyl 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCCCCCCCCCOC(=O)C(C)OC(C)(C)C
InChIInChI=1S/C17H34O3/c1-6-7-8-9-10-11-12-13-14-19-16(18)15(2)20-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyILOJQEFTTMBNJY-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.87
Rot. Bonds11

About decyl 2-[(2-methylpropan-2-yl)oxy]propanoate

decyl 2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 175299623) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is decyl 2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Namedecyl 2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID175299623
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Namedecyl 2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCCCCCCCCCOC(=O)C(C)OC(C)(C)C
InChIInChI=1S/C17H34O3/c1-6-7-8-9-10-11-12-13-14-19-16(18)15(2)20-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyILOJQEFTTMBNJY-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2-ethoxypropanoate
CID 175702782
hexyl 2-phosphanyloxypropanoate
CID 19783897
tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
hexyl 2-hydroxy-3,3-dimethylbutanoate
CID 174403415
7-methyloctyl 2-heptyl-9-methyldecanoate
CID 140636835
16-methylheptadecyl (2S)-2-hexyldecanoate
CID 99121761
tert-butyl 2-heptoxypropanoate
CID 66337184
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674

Frequently Asked Questions

What is the IUPAC name of decyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of decyl 2-[(2-methylpropan-2-yl)oxy]propanoate (CID 175299623) is decyl 2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for decyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for decyl 2-[(2-methylpropan-2-yl)oxy]propanoate is CCCCCCCCCCOC(=O)C(C)OC(C)(C)C.
What is the InChIKey of decyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is ILOJQEFTTMBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-6-7-8-9-10-11-12-13-14-19-16(18)15(2)20-17(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of decyl 2-[(2-methylpropan-2-yl)oxy]propanoate?
decyl 2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 286.46 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 175299623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).