2-methylpropyl 2-ethylnonanoate

C15H30O2 — CID 175297252

IUPAC2-methylpropyl 2-ethylnonanoate
SMILESCCCCCCCC(CC)C(=O)OCC(C)C
InChIInChI=1S/C15H30O2/c1-5-7-8-9-10-11-14(6-2)15(16)17-12-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyIEPYBOAASFFMOL-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.57
Rot. Bonds10

About 2-methylpropyl 2-ethylnonanoate

2-methylpropyl 2-ethylnonanoate (PubChem CID 175297252) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-methylpropyl 2-ethylnonanoate.

Molecular Properties

Compound Name2-methylpropyl 2-ethylnonanoate
PubChem CID175297252
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-methylpropyl 2-ethylnonanoate
SMILESCCCCCCCC(CC)C(=O)OCC(C)C
InChIInChI=1S/C15H30O2/c1-5-7-8-9-10-11-14(6-2)15(16)17-12-13(3)4/h13-14H,5-12H2,1-4H3
InChIKeyIEPYBOAASFFMOL-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
alumane;2-methylpropyl 2-ethylhexanoate
CID 174410098
ethyl 2-ethyldocosanoate
CID 175304380
2-heptylundecyl 2-ethylhexanoate
CID 88536856
2-pentylundecyl 2-ethylhexanoate
CID 11462797
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
2,3-dihydroxypropyl 2-ethyldodecanoate
CID 175496101
[(2R)-2-hydroxypropyl] (2R)-2-ethylhexanoate
CID 93482323
[5-(2-ethylhexanoyloxy)-2,4-dimethylpentyl] 2-ethylhexanoate
CID 139749095
2-(2-ethyloctanoyloxy)acetic acid
CID 87270647
2-decylhexadecyl 2-decyloctadecanoate
CID 139900333

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-ethylnonanoate?
The IUPAC name of 2-methylpropyl 2-ethylnonanoate (CID 175297252) is 2-methylpropyl 2-ethylnonanoate.
What is the SMILES notation for 2-methylpropyl 2-ethylnonanoate?
The canonical SMILES for 2-methylpropyl 2-ethylnonanoate is CCCCCCCC(CC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-ethylnonanoate?
The InChIKey is IEPYBOAASFFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-7-8-9-10-11-14(6-2)15(16)17-12-13(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-methylpropyl 2-ethylnonanoate?
2-methylpropyl 2-ethylnonanoate has a molecular weight of 242.40 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-ethylnonanoate is sourced from PubChem (CID 175297252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).