ethyl 2-nonoxypropanoate

C14H28O3 — CID 88680880

IUPACethyl 2-nonoxypropanoate
SMILESCCCCCCCCCOC(C)C(=O)OCC
InChIInChI=1S/C14H28O3/c1-4-6-7-8-9-10-11-12-17-13(3)14(15)16-5-2/h13H,4-12H2,1-3H3
InChIKeyGEZHONYGMQJZQB-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.71
Rot. Bonds11

About ethyl 2-nonoxypropanoate

ethyl 2-nonoxypropanoate (PubChem CID 88680880) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is ethyl 2-nonoxypropanoate.

Molecular Properties

Compound Nameethyl 2-nonoxypropanoate
PubChem CID88680880
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nameethyl 2-nonoxypropanoate
SMILESCCCCCCCCCOC(C)C(=O)OCC
InChIInChI=1S/C14H28O3/c1-4-6-7-8-9-10-11-12-17-13(3)14(15)16-5-2/h13H,4-12H2,1-3H3
InChIKeyGEZHONYGMQJZQB-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.71
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

methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
heptyl 2-ethoxypropanoate
CID 175702782
2-pentoxypropanamide
CID 62900296
tert-butyl 2-heptoxypropanoate
CID 66337184
(2S)-2-heptoxypropanoic acid
CID 22301798
3-pentoxybutan-2-one
CID 43801294
ethyl 2-fluoro-2-octoxyacetate
CID 79357216
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
hexyl 2-phosphanyloxypropanoate
CID 19783897
2-dodecoxy-4-hydroxyoctan-3-one
CID 88941366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-nonoxypropanoate?
The IUPAC name of ethyl 2-nonoxypropanoate (CID 88680880) is ethyl 2-nonoxypropanoate.
What is the SMILES notation for ethyl 2-nonoxypropanoate?
The canonical SMILES for ethyl 2-nonoxypropanoate is CCCCCCCCCOC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-nonoxypropanoate?
The InChIKey is GEZHONYGMQJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-6-7-8-9-10-11-12-17-13(3)14(15)16-5-2/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2-nonoxypropanoate?
ethyl 2-nonoxypropanoate has a molecular weight of 244.37 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-nonoxypropanoate is sourced from PubChem (CID 88680880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).