2-[(E,4R)-dodec-2-en-4-yl]oxyoxane

C17H32O2 — CID 102392946

IUPAC2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
SMILESC/C=C/[C@@H](CCCCCCCC)OC1CCCCO1
InChIInChI=1S/C17H32O2/c1-3-5-6-7-8-9-13-16(12-4-2)19-17-14-10-11-15-18-17/h4,12,16-17H,3,5-11,13-15H2,1-2H3/b12-4+/t16-,17?/m0/s1
InChIKeyAFFXWHZXFLYNRF-MCBRWXQTSA-N
MW268.44 g/mol
LogP5.22
Rot. Bonds10

About 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane

2-[(E,4R)-dodec-2-en-4-yl]oxyoxane (PubChem CID 102392946) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
PubChem CID102392946
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
SMILESC/C=C/[C@@H](CCCCCCCC)OC1CCCCO1
InChIInChI=1S/C17H32O2/c1-3-5-6-7-8-9-13-16(12-4-2)19-17-14-10-11-15-18-17/h4,12,16-17H,3,5-11,13-15H2,1-2H3/b12-4+/t16-,17?/m0/s1
InChIKeyAFFXWHZXFLYNRF-MCBRWXQTSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.22
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'}

Analyze 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[3-(oxan-2-yloxy)undec-1-enyl]stannane
CID 67865469
2-oct-1-en-3-yloxyoxane
CID 10727282
2-hept-1-en-3-yloxyoxane
CID 20796050
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966
(1R,3R,4R)-2-methylidene-4-(oxan-2-yloxy)-3-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentan-1-ol
CID 57290182
(3aR,4R,5R,6aS)-5-hydroxy-4-[3-(oxan-2-yloxy)dec-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70179407
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
[(1S,2S)-2-acetyloxy-5-hydroxy-3-[3-(oxan-2-yloxy)oct-1-enyl]cyclopent-3-en-1-yl] acetate
CID 70593471
(2S)-2-[(1R)-1-(oxan-2-yloxy)octyl]dodecanoic acid
CID 101131263
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
methyl (16R)-16-(oxan-2-yloxy)icos-14-en-5-ynoate
CID 90780469
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039

Frequently Asked Questions

What is the IUPAC name of 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane?
The IUPAC name of 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane (CID 102392946) is 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane.
What is the SMILES notation for 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane?
The canonical SMILES for 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane is C/C=C/[C@@H](CCCCCCCC)OC1CCCCO1.
What is the InChIKey of 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane?
The InChIKey is AFFXWHZXFLYNRF-MCBRWXQTSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-5-6-7-8-9-13-16(12-4-2)19-17-14-10-11-15-18-17/h4,12,16-17H,3,5-11,13-15H2,1-2H3/b12-4+/t16-,17?/m0/s1.
What are the key properties of 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane?
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane has a molecular weight of 268.44 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,4R)-dodec-2-en-4-yl]oxyoxane is sourced from PubChem (CID 102392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).