2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane

C19H34O2 — CID 101109475

IUPAC2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane
SMILESCCCCCCCCC/C=C\CC1OC1CC1OC1CC
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-19(21-17)15-18-16(4-2)20-18/h12-13,16-19H,3-11,14-15H2,1-2H3/b13-12-
InChIKeyLTYKYSRLTJWTAP-SEYXRHQNSA-N
MW294.48 g/mol
LogP5.41
Rot. Bonds13

About 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane

2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane (PubChem CID 101109475) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane.

Molecular Properties

Compound Name2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane
PubChem CID101109475
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane
SMILESCCCCCCCCC/C=C\CC1OC1CC1OC1CC
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-19(21-17)15-18-16(4-2)20-18/h12-13,16-19H,3-11,14-15H2,1-2H3/b13-12-
InChIKeyLTYKYSRLTJWTAP-SEYXRHQNSA-N
XLogP5.41
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentadec-2-enyl-3-pent-2-enyloxirane
CID 173213493
(2R,3R)-2-[(Z)-dec-2-enyl]-3-pentyloxirane
CID 100991956
(2R,3R)-2-[(Z)-pentadec-2-enyl]-3-pentyloxirane
CID 100991951
2-[(E)-dec-2-enyl]-3-(5-methylhexyl)oxirane
CID 91749865
2-[(Z)-10-methoxydec-2-enyl]-3-pentyloxirane
CID 87533114
methyl 16-(3-ethyloxiran-2-yl)hexadeca-8,14-dienoate
CID 90971635
(7Z,10Z)-12-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]dodeca-7,10-dienoic acid
CID 171042983
(9E,12E)-14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoic acid
CID 14212253
(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
CID 5356421
(5E,8E)-10-[(2S,3R)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
CID 11609450
(Z)-7-[(2S,3R)-3-[(2Z,5E)-undeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
CID 124511242
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane?
The IUPAC name of 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane (CID 101109475) is 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane.
What is the SMILES notation for 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane?
The canonical SMILES for 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane is CCCCCCCCC/C=C\CC1OC1CC1OC1CC.
What is the InChIKey of 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane?
The InChIKey is LTYKYSRLTJWTAP-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-19(21-17)15-18-16(4-2)20-18/h12-13,16-19H,3-11,14-15H2,1-2H3/b13-12-.
What are the key properties of 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane?
2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane has a molecular weight of 294.48 g/mol, XLogP of 5.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane is sourced from PubChem (CID 101109475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).