6-(2-nitrosoethyl)dodec-1-ene

C14H27NO — CID 89278937

IUPAC6-(2-nitrosoethyl)dodec-1-ene
SMILESC=CCCCC(CCCCCC)CCN=O
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-14(12-13-15-16)10-8-6-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyQPIPRIQEANMISW-UHFFFAOYSA-N
MW225.38 g/mol
LogP5.09
Rot. Bonds12

About 6-(2-nitrosoethyl)dodec-1-ene

6-(2-nitrosoethyl)dodec-1-ene (PubChem CID 89278937) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-(2-nitrosoethyl)dodec-1-ene.

Molecular Properties

Compound Name6-(2-nitrosoethyl)dodec-1-ene
PubChem CID89278937
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name6-(2-nitrosoethyl)dodec-1-ene
SMILESC=CCCCC(CCCCCC)CCN=O
InChIInChI=1S/C14H27NO/c1-3-5-7-9-11-14(12-13-15-16)10-8-6-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyQPIPRIQEANMISW-UHFFFAOYSA-N
XLogP5.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrosoethyl)dodec-1-ene?
The IUPAC name of 6-(2-nitrosoethyl)dodec-1-ene (CID 89278937) is 6-(2-nitrosoethyl)dodec-1-ene.
What is the SMILES notation for 6-(2-nitrosoethyl)dodec-1-ene?
The canonical SMILES for 6-(2-nitrosoethyl)dodec-1-ene is C=CCCCC(CCCCCC)CCN=O.
What is the InChIKey of 6-(2-nitrosoethyl)dodec-1-ene?
The InChIKey is QPIPRIQEANMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-7-9-11-14(12-13-15-16)10-8-6-4-2/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 6-(2-nitrosoethyl)dodec-1-ene?
6-(2-nitrosoethyl)dodec-1-ene has a molecular weight of 225.38 g/mol, XLogP of 5.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrosoethyl)dodec-1-ene is sourced from PubChem (CID 89278937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).