(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one

C17H30O3 — CID 10446523

IUPAC(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one
SMILESC/C=C/CCC(=O)CCC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-3-5-6-10-15(18)11-9-12-16(4-2)20-17-13-7-8-14-19-17/h3,5,16-17H,4,6-14H2,1-2H3/b5-3+/t16-,17?/m1/s1
InChIKeyIMVCAQSUGJLQIC-VMIZESGLSA-N
MW282.42 g/mol
LogP4.40
Rot. Bonds10

About (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one

(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one (PubChem CID 10446523) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one.

Molecular Properties

Compound Name(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one
PubChem CID10446523
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one
SMILESC/C=C/CCC(=O)CCC[C@@H](CC)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-3-5-6-10-15(18)11-9-12-16(4-2)20-17-13-7-8-14-19-17/h3,5,16-17H,4,6-14H2,1-2H3/b5-3+/t16-,17?/m1/s1
InChIKeyIMVCAQSUGJLQIC-VMIZESGLSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one 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

(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
CID 10468996
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
CID 13439915
Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
Tetrahydropyran-2-yl Z,Z-8,10-dodecadienoate
CID 5367913
Tetrahydropyran Z-10-dodecenoate
CID 5367971
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
3-[4-(Oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
CID 10730486
3-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 10779149
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
CID 100939993
methyl (Z)-18-(oxan-2-yloxy)octadec-9-enoate
CID 11502142
methyl (Z,3S)-3-(oxan-2-yloxy)icos-11-enoate
CID 13817946

Frequently Asked Questions

What is the IUPAC name of (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one?
The IUPAC name of (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one (CID 10446523) is (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one.
What is the SMILES notation for (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one?
The canonical SMILES for (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one is C/C=C/CCC(=O)CCC[C@@H](CC)OC1CCCCO1.
What is the InChIKey of (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one?
The InChIKey is IMVCAQSUGJLQIC-VMIZESGLSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-5-6-10-15(18)11-9-12-16(4-2)20-17-13-7-8-14-19-17/h3,5,16-17H,4,6-14H2,1-2H3/b5-3+/t16-,17?/m1/s1.
What are the key properties of (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one?
(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one has a molecular weight of 282.42 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one is sourced from PubChem (CID 10446523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).