(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one

C15H29NO2 — CID 71749551

IUPAC(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
SMILESC/C=C/C[C@@H](C)[C@@H](OC)C(NC)C(=O)CCCC
InChIInChI=1S/C15H29NO2/c1-6-8-10-12(3)15(18-5)14(16-4)13(17)11-9-7-2/h6,8,12,14-16H,7,9-11H2,1-5H3/b8-6+/t12-,14?,15-/m1/s1
InChIKeyPJHUXIWNPJGTRM-LIHLPKTNSA-N
MW255.40 g/mol
LogP2.95
Rot. Bonds10

About (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one

(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one (PubChem CID 71749551) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one.

Molecular Properties

Compound Name(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
PubChem CID71749551
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
SMILESC/C=C/C[C@@H](C)[C@@H](OC)C(NC)C(=O)CCCC
InChIInChI=1S/C15H29NO2/c1-6-8-10-12(3)15(18-5)14(16-4)13(17)11-9-7-2/h6,8,12,14-16H,7,9-11H2,1-5H3/b8-6+/t12-,14?,15-/m1/s1
InChIKeyPJHUXIWNPJGTRM-LIHLPKTNSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7R,8R,10E)-7-Methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one--butane (1/1)
CID 71749550
[(E)-6-hydroxy-7-methyl-1-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-4-oxoundec-9-en-5-yl]-methylazanide
CID 58003073
(E)-6-hydroxy-7-methyl-5-(methylamino)-1-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]undec-9-en-4-one
CID 58003074
(E,6R,7R,8R)-6-(dimethylamino)-7-hydroxy-8-methyldodec-10-en-5-one
CID 29976659
(E,6S,7R,8R)-6-(dimethylamino)-7-hydroxy-8-methyldodec-10-en-5-one
CID 29976663
(E,7R,8R)-6-(dimethylamino)-7-hydroxy-8-methyldodec-10-en-5-one
CID 71315136
(E,7R,8R)-11,12,12,12-tetradeuterio-6-(dimethylamino)-7-hydroxy-8-methyldodec-10-en-5-one
CID 71315138
(E,6R,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
CID 96364876
(E,6S,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
CID 96364878
(E)-7-methoxy-8-methyl-6-(methylamino)hexadec-10-en-5-one
CID 131699304
Butane;7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
CID 139600696
7-Methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one
CID 139600697

Frequently Asked Questions

What is the IUPAC name of (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one?
The IUPAC name of (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one (CID 71749551) is (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one.
What is the SMILES notation for (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one?
The canonical SMILES for (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one is C/C=C/C[C@@H](C)[C@@H](OC)C(NC)C(=O)CCCC.
What is the InChIKey of (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one?
The InChIKey is PJHUXIWNPJGTRM-LIHLPKTNSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-8-10-12(3)15(18-5)14(16-4)13(17)11-9-7-2/h6,8,12,14-16H,7,9-11H2,1-5H3/b8-6+/t12-,14?,15-/m1/s1.
What are the key properties of (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one?
(E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one has a molecular weight of 255.40 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,8R)-7-methoxy-8-methyl-6-(methylamino)dodec-10-en-5-one is sourced from PubChem (CID 71749551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).