(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene

C14H26O — CID 101198493

IUPAC(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene
SMILES[2H]C([2H])(C/C=C/CC)/C(=C\OC)CCCCC
InChIInChI=1S/C14H26O/c1-4-6-8-10-12-14(13-15-3)11-9-7-5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/b8-6+,14-13-/i12D2
InChIKeyMNIUOZIMZMPPGP-GFLLBLBUSA-N
MW212.37 g/mol
LogP4.84
Rot. Bonds9

About (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene

(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene (PubChem CID 101198493) has the molecular formula C14H26O and a molecular weight of 212.37 g/mol. Its IUPAC name is (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene.

Molecular Properties

Compound Name(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene
PubChem CID101198493
Molecular FormulaC14H26O
Molecular Weight212.37 g/mol
Exact Mass212.21
IUPAC Name(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene
SMILES[2H]C([2H])(C/C=C/CC)/C(=C\OC)CCCCC
InChIInChI=1S/C14H26O/c1-4-6-8-10-12-14(13-15-3)11-9-7-5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/b8-6+,14-13-/i12D2
InChIKeyMNIUOZIMZMPPGP-GFLLBLBUSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene?
The IUPAC name of (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene (CID 101198493) is (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene.
What is the SMILES notation for (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene?
The canonical SMILES for (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene is [2H]C([2H])(C/C=C/CC)/C(=C\OC)CCCCC.
What is the InChIKey of (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene?
The InChIKey is MNIUOZIMZMPPGP-GFLLBLBUSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-8-10-12-14(13-15-3)11-9-7-5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/b8-6+,14-13-/i12D2.
What are the key properties of (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene?
(E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene has a molecular weight of 212.37 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7Z)-6,6-dideuterio-7-(methoxymethylidene)dodec-3-ene is sourced from PubChem (CID 101198493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).