ethyl 9-(3-propyloxiran-2-yl)nonanoate

C16H30O3 — CID 101288709

IUPACethyl 9-(3-propyloxiran-2-yl)nonanoate
SMILESCCCC1OC1CCCCCCCCC(=O)OCC
InChIInChI=1S/C16H30O3/c1-3-11-14-15(19-14)12-9-7-5-6-8-10-13-16(17)18-4-2/h14-15H,3-13H2,1-2H3
InChIKeyJYNGUIBZFHRPSZ-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.24
Rot. Bonds12

About ethyl 9-(3-propyloxiran-2-yl)nonanoate

ethyl 9-(3-propyloxiran-2-yl)nonanoate (PubChem CID 101288709) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is ethyl 9-(3-propyloxiran-2-yl)nonanoate.

Molecular Properties

Compound Nameethyl 9-(3-propyloxiran-2-yl)nonanoate
PubChem CID101288709
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameethyl 9-(3-propyloxiran-2-yl)nonanoate
SMILESCCCC1OC1CCCCCCCCC(=O)OCC
InChIInChI=1S/C16H30O3/c1-3-11-14-15(19-14)12-9-7-5-6-8-10-13-16(17)18-4-2/h14-15H,3-13H2,1-2H3
InChIKeyJYNGUIBZFHRPSZ-UHFFFAOYSA-N
XLogP4.24
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[9-(3-propyloxiran-2-yl)nonanoyloxy]ethyl 9-(3-propyloxiran-2-yl)nonanoate
CID 101288783
ethyl 11-(3-methyloxiran-2-yl)undecanoate
CID 101288711
ethyl 11-(3-pentyloxiran-2-yl)undec-9-enoate
CID 163075251
ethyl (Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoate
CID 163075252
ethyl 12-[2-(4-chlorobutyl)-5-octyl-1,3-dioxolan-4-yl]dodecanoate
CID 175480744
diethyl icosanedioate
CID 5058538
methyl 12-[3-(12-methoxy-12-oxododecyl)oxiran-2-yl]dodecanoate
CID 101103318
2-[3-(3-nonyloxiran-2-yl)propanoyloxy]ethyl 3-(3-nonyloxiran-2-yl)propanoate
CID 101288777
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(3-propyloxiran-2-yl)nonanoate?
The IUPAC name of ethyl 9-(3-propyloxiran-2-yl)nonanoate (CID 101288709) is ethyl 9-(3-propyloxiran-2-yl)nonanoate.
What is the SMILES notation for ethyl 9-(3-propyloxiran-2-yl)nonanoate?
The canonical SMILES for ethyl 9-(3-propyloxiran-2-yl)nonanoate is CCCC1OC1CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 9-(3-propyloxiran-2-yl)nonanoate?
The InChIKey is JYNGUIBZFHRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-11-14-15(19-14)12-9-7-5-6-8-10-13-16(17)18-4-2/h14-15H,3-13H2,1-2H3.
What are the key properties of ethyl 9-(3-propyloxiran-2-yl)nonanoate?
ethyl 9-(3-propyloxiran-2-yl)nonanoate has a molecular weight of 270.41 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(3-propyloxiran-2-yl)nonanoate is sourced from PubChem (CID 101288709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).