2-pentadec-2-enyl-3-pent-2-enyloxirane

C22H40O — CID 173213493

IUPAC2-pentadec-2-enyl-3-pent-2-enyloxirane
SMILESCCC=CCC1OC1CC=CCCCCCCCCCCCC
InChIInChI=1S/C22H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22-21(23-22)19-17-6-4-2/h6,16-18,21-22H,3-5,7-15,19-20H2,1-2H3
InChIKeyZZGAJJYHCVINBA-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.37
Rot. Bonds16

About 2-pentadec-2-enyl-3-pent-2-enyloxirane

2-pentadec-2-enyl-3-pent-2-enyloxirane (PubChem CID 173213493) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-pentadec-2-enyl-3-pent-2-enyloxirane.

Molecular Properties

Compound Name2-pentadec-2-enyl-3-pent-2-enyloxirane
PubChem CID173213493
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name2-pentadec-2-enyl-3-pent-2-enyloxirane
SMILESCCC=CCC1OC1CC=CCCCCCCCCCCCC
InChIInChI=1S/C22H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22-21(23-22)19-17-6-4-2/h6,16-18,21-22H,3-5,7-15,19-20H2,1-2H3
InChIKeyZZGAJJYHCVINBA-UHFFFAOYSA-N
XLogP7.37
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-dodec-2-enyl]-3-[(3-ethyloxiran-2-yl)methyl]oxirane
CID 101109475
(2R,3R)-2-[(Z)-dec-2-enyl]-3-pentyloxirane
CID 100991956
(2R,3R)-2-[(Z)-pentadec-2-enyl]-3-pentyloxirane
CID 100991951
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984
(2S,3R)-2-nonyl-3-[(2E,5E)-octa-2,5-dienyl]oxirane
CID 171042832
(2R,3R)-2-octa-2,5-dienyl-3-undecyloxirane
CID 175130778

Frequently Asked Questions

What is the IUPAC name of 2-pentadec-2-enyl-3-pent-2-enyloxirane?
The IUPAC name of 2-pentadec-2-enyl-3-pent-2-enyloxirane (CID 173213493) is 2-pentadec-2-enyl-3-pent-2-enyloxirane.
What is the SMILES notation for 2-pentadec-2-enyl-3-pent-2-enyloxirane?
The canonical SMILES for 2-pentadec-2-enyl-3-pent-2-enyloxirane is CCC=CCC1OC1CC=CCCCCCCCCCCCC.
What is the InChIKey of 2-pentadec-2-enyl-3-pent-2-enyloxirane?
The InChIKey is ZZGAJJYHCVINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22-21(23-22)19-17-6-4-2/h6,16-18,21-22H,3-5,7-15,19-20H2,1-2H3.
What are the key properties of 2-pentadec-2-enyl-3-pent-2-enyloxirane?
2-pentadec-2-enyl-3-pent-2-enyloxirane has a molecular weight of 320.56 g/mol, XLogP of 7.37, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadec-2-enyl-3-pent-2-enyloxirane is sourced from PubChem (CID 173213493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).