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

C17H30O3 — CID 10468997

IUPAC(E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one
SMILESC/C=C/CCCC(=O)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-3-4-5-6-11-16(18)12-9-10-15(2)20-17-13-7-8-14-19-17/h3-4,15,17H,5-14H2,1-2H3/b4-3+/t15-,17?/m1/s1
InChIKeyCTOMSGSKMSPERY-OVBWGHLSSA-N
MW282.42 g/mol
LogP4.40
Rot. Bonds10

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

(E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one (PubChem CID 10468997) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one.

Molecular Properties

Compound Name(E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one
PubChem CID10468997
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one
SMILESC/C=C/CCCC(=O)CCC[C@@H](C)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-3-4-5-6-11-16(18)12-9-10-15(2)20-17-13-7-8-14-19-17/h3-4,15,17H,5-14H2,1-2H3/b4-3+/t15-,17?/m1/s1
InChIKeyCTOMSGSKMSPERY-OVBWGHLSSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
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
(2R)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-one
CID 11769467
2-methoxy-2-[(E)-pent-3-enyl]oxan-4-one
CID 21726471
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
CID 100939993
(Z,3S)-3-(oxan-2-yloxy)icos-11-enal
CID 13817948
3-[(2R)-oxan-2-yl]oxyicos-11-enal
CID 53787614
3-(Oxan-2-yloxy)icosa-11,14-dienal
CID 54041405

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one?
The IUPAC name of (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one (CID 10468997) is (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one.
What is the SMILES notation for (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one?
The canonical SMILES for (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one is C/C=C/CCCC(=O)CCC[C@@H](C)OC1CCCCO1.
What is the InChIKey of (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one?
The InChIKey is CTOMSGSKMSPERY-OVBWGHLSSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-4-5-6-11-16(18)12-9-10-15(2)20-17-13-7-8-14-19-17/h3-4,15,17H,5-14H2,1-2H3/b4-3+/t15-,17?/m1/s1.
What are the key properties of (E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one?
(E,2R)-2-(oxan-2-yloxy)dodec-10-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,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one is sourced from PubChem (CID 10468997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).