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

C30H54O6 — CID 101288776

IUPAC2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate
SMILESCCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCC
InChIInChI=1S/C30H54O6/c1-3-5-7-9-11-13-15-17-19-25-27(35-25)23-29(31)33-21-22-34-30(32)24-28-26(36-28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeySFRMCZGERUQOQR-UHFFFAOYSA-N
MW510.76 g/mol
LogP7.45
Rot. Bonds25

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

2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate (PubChem CID 101288776) has the molecular formula C30H54O6 and a molecular weight of 510.76 g/mol. Its IUPAC name is 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate.

Molecular Properties

Compound Name2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate
PubChem CID101288776
Molecular FormulaC30H54O6
Molecular Weight510.76 g/mol
Exact Mass510.39
IUPAC Name2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate
SMILESCCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCC
InChIInChI=1S/C30H54O6/c1-3-5-7-9-11-13-15-17-19-25-27(35-25)23-29(31)33-21-22-34-30(32)24-28-26(36-28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeySFRMCZGERUQOQR-UHFFFAOYSA-N
XLogP7.45
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.76
LogP ≤ 57.45
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-undecyloxiran-2-yl)acetyl]oxyethyl 2-(3-undecyloxiran-2-yl)acetate
CID 101288837
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
ethyl 2-[(1S,2R,5S,6R)-5-pentyl-3,4,7-trioxabicyclo[4.1.0]heptan-2-yl]acetate
CID 53317377

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate?
The IUPAC name of 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate (CID 101288776) is 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate.
What is the SMILES notation for 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate?
The canonical SMILES for 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate is CCCCCCCCCCC1OC1CC(=O)OCCOC(=O)CC1OC1CCCCCCCCCC.
What is the InChIKey of 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate?
The InChIKey is SFRMCZGERUQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O6/c1-3-5-7-9-11-13-15-17-19-25-27(35-25)23-29(31)33-21-22-34-30(32)24-28-26(36-28)20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3.
What are the key properties of 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate?
2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate has a molecular weight of 510.76 g/mol, XLogP of 7.45, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-decyloxiran-2-yl)acetyl]oxyethyl 2-(3-decyloxiran-2-yl)acetate is sourced from PubChem (CID 101288776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).