(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one

C17H30O3 — CID 10468996

IUPAC(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
SMILESC=CCCCC(=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/h3,16-17H,1,4-14H2,2H3/t16-,17?/m1/s1
InChIKeyOMMXQEUEWVNBGI-TZHYSIJRSA-N
MW282.42 g/mol
LogP4.40
Rot. Bonds11

About (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one

(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one (PubChem CID 10468996) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one.

Molecular Properties

Compound Name(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
PubChem CID10468996
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one
SMILESC=CCCCC(=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/h3,16-17H,1,4-14H2,2H3/t16-,17?/m1/s1
InChIKeyOMMXQEUEWVNBGI-TZHYSIJRSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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

Propan-2-yl 5-(oxan-2-yloxy)oct-7-enoate
CID 14214412
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
(10R)-2-methyl-10-(oxan-2-yloxy)undec-2-en-6-one
CID 100939993
7-Hydroxy-11-(oxan-2-yloxy)dodec-1-en-3-one
CID 21501143
(E)-10-(oxan-2-yloxy)dodec-2-en-6-one
CID 10379057
(10S)-8-methyl-10-(oxan-2-yloxy)undec-1-en-6-one
CID 10423922
(E,10R)-10-(oxan-2-yloxy)dodec-2-en-6-one
CID 10446523
(E,2R)-2-(oxan-2-yloxy)dodec-10-en-6-one
CID 10468997
13-(Oxan-2-yloxy)tridec-1-en-3-one
CID 10541988
8-(1,3-Dioxan-2-yl)oct-1-en-4-one
CID 10878473
1-[(4S,6S)-2,2,6-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-one
CID 44127017

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one?
The IUPAC name of (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one (CID 10468996) is (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one.
What is the SMILES notation for (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one?
The canonical SMILES for (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one is C=CCCCC(=O)CCC[C@@H](CC)OC1CCCCO1.
What is the InChIKey of (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one?
The InChIKey is OMMXQEUEWVNBGI-TZHYSIJRSA-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/h3,16-17H,1,4-14H2,2H3/t16-,17?/m1/s1.
What are the key properties of (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one?
(10R)-10-(oxan-2-yloxy)dodec-1-en-6-one has a molecular weight of 282.42 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(oxan-2-yloxy)dodec-1-en-6-one is sourced from PubChem (CID 10468996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).