2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate

C32H58O6 — CID 101288837

IUPAC2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate
SMILESCCCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCCC
InChIInChI=1S/C32H58O6/c1-3-5-7-9-11-13-15-17-19-21-27-29(37-27)25-31(33)35-23-24-36-32(34)26-30-28(38-30)22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3
InChIKeyDMEOLGKPQNGUFY-UHFFFAOYSA-N
MW538.81 g/mol
LogP8.23
Rot. Bonds27

About 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate

2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate (PubChem CID 101288837) has the molecular formula C32H58O6 and a molecular weight of 538.81 g/mol. Its IUPAC name is 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate.

Molecular Properties

Compound Name2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate
PubChem CID101288837
Molecular FormulaC32H58O6
Molecular Weight538.81 g/mol
Exact Mass538.42
IUPAC Name2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate
SMILESCCCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCCC
InChIInChI=1S/C32H58O6/c1-3-5-7-9-11-13-15-17-19-21-27-29(37-27)25-31(33)35-23-24-36-32(34)26-30-28(38-30)22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3
InChIKeyDMEOLGKPQNGUFY-UHFFFAOYSA-N
XLogP8.23
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate
CID 101288776
2-[3-(3-nonyloxiran-2-yl)propanoyloxy]ethyl 3-(3-nonyloxiran-2-yl)propanoate
CID 101288777
undecyl 2-[3-(2-bromoethyl)oxiran-2-yl]acetate
CID 176570983
2-[9-(3-propyloxiran-2-yl)nonanoyloxy]ethyl 9-(3-propyloxiran-2-yl)nonanoate
CID 101288783
1-hydroxypropan-2-yl 2-(3-decyloxiran-2-yl)acetate
CID 101288800
bis[3-(3-nonyloxiran-2-yl)propyl] but-2-enedioate
CID 54261110
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313
2-butyl-3-undecyloxirane
CID 88518775
10-(3-pentyloxiran-2-yl)decyl prop-2-enoate
CID 141175333

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate?
The IUPAC name of 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate (CID 101288837) is 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate.
What is the SMILES notation for 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate?
The canonical SMILES for 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate is CCCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCCC.
What is the InChIKey of 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate?
The InChIKey is DMEOLGKPQNGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O6/c1-3-5-7-9-11-13-15-17-19-21-27-29(37-27)25-31(33)35-23-24-36-32(34)26-30-28(38-30)22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3.
What are the key properties of 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate?
2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate has a molecular weight of 538.81 g/mol, XLogP of 8.23, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate is sourced from PubChem (CID 101288837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).