ethyl 11-(3-methyloxiran-2-yl)undecanoate

C16H30O3 — CID 101288711

IUPACethyl 11-(3-methyloxiran-2-yl)undecanoate
SMILESCCOC(=O)CCCCCCCCCCC1OC1C
InChIInChI=1S/C16H30O3/c1-3-18-16(17)13-11-9-7-5-4-6-8-10-12-15-14(2)19-15/h14-15H,3-13H2,1-2H3
InChIKeyZIUFNESZKXKJGM-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.24
Rot. Bonds12

About ethyl 11-(3-methyloxiran-2-yl)undecanoate

ethyl 11-(3-methyloxiran-2-yl)undecanoate (PubChem CID 101288711) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is ethyl 11-(3-methyloxiran-2-yl)undecanoate.

Molecular Properties

Compound Nameethyl 11-(3-methyloxiran-2-yl)undecanoate
PubChem CID101288711
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameethyl 11-(3-methyloxiran-2-yl)undecanoate
SMILESCCOC(=O)CCCCCCCCCCC1OC1C
InChIInChI=1S/C16H30O3/c1-3-18-16(17)13-11-9-7-5-4-6-8-10-12-15-14(2)19-15/h14-15H,3-13H2,1-2H3
InChIKeyZIUFNESZKXKJGM-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

ethyl 9-(3-propyloxiran-2-yl)nonanoate
CID 101288709
diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
ethyl 9-[(2R,3R)-3-phenyloxiran-2-yl]nonanoate
CID 10590631
10-(3-methyloxiran-2-yl)decanoic acid
CID 141449209
ethyl 12-[2-(4-chlorobutyl)-5-octyl-1,3-dioxolan-4-yl]dodecanoate
CID 175480744
sodium;diethyl decanedioate;hydride
CID 173076435
2-[9-(3-propyloxiran-2-yl)nonanoyloxy]ethyl 9-(3-propyloxiran-2-yl)nonanoate
CID 101288783
1-hydroxypropan-2-yl 11-(3-methyloxiran-2-yl)undecanoate
CID 101288809
ethyl (Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoate
CID 163075252
ethyl 11-(3-pentyloxiran-2-yl)undec-9-enoate
CID 163075251
pentakis(ethyl octanoate);hexane
CID 173194775

Frequently Asked Questions

What is the IUPAC name of ethyl 11-(3-methyloxiran-2-yl)undecanoate?
The IUPAC name of ethyl 11-(3-methyloxiran-2-yl)undecanoate (CID 101288711) is ethyl 11-(3-methyloxiran-2-yl)undecanoate.
What is the SMILES notation for ethyl 11-(3-methyloxiran-2-yl)undecanoate?
The canonical SMILES for ethyl 11-(3-methyloxiran-2-yl)undecanoate is CCOC(=O)CCCCCCCCCCC1OC1C.
What is the InChIKey of ethyl 11-(3-methyloxiran-2-yl)undecanoate?
The InChIKey is ZIUFNESZKXKJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-18-16(17)13-11-9-7-5-4-6-8-10-12-15-14(2)19-15/h14-15H,3-13H2,1-2H3.
What are the key properties of ethyl 11-(3-methyloxiran-2-yl)undecanoate?
ethyl 11-(3-methyloxiran-2-yl)undecanoate 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 11-(3-methyloxiran-2-yl)undecanoate is sourced from PubChem (CID 101288711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).