(Z)-dodec-2-ene;propan-2-one

C15H30O — CID 175013676

IUPAC(Z)-dodec-2-ene;propan-2-one
SMILESC/C=C\CCCCCCCCC.CC(C)=O
InChIInChI=1S/C12H24.C3H6O/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4/h3,5H,4,6-12H2,1-2H3;1-2H3/b5-3-;
InChIKeyMXCIPQWTQXVJQG-FBZPGIPVSA-N
MW226.40 g/mol
LogP5.30
Rot. Bonds8

About (Z)-dodec-2-ene;propan-2-one

(Z)-dodec-2-ene;propan-2-one (PubChem CID 175013676) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (Z)-dodec-2-ene;propan-2-one.

Molecular Properties

Compound Name(Z)-dodec-2-ene;propan-2-one
PubChem CID175013676
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(Z)-dodec-2-ene;propan-2-one
SMILESC/C=C\CCCCCCCCC.CC(C)=O
InChIInChI=1S/C12H24.C3H6O/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4/h3,5H,4,6-12H2,1-2H3;1-2H3/b5-3-;
InChIKeyMXCIPQWTQXVJQG-FBZPGIPVSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-icos-2-ene
CID 5352524
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(Z)-oct-2-ene
CID 5356796
formic acid;oct-2-ene
CID 159391664
heptan-3-one;non-2-ene
CID 175423097
sodium;hydride;octadec-2-ene
CID 175594563
pentadeca-2,6-diene
CID 165019979
oct-2-ene;hydrochloride
CID 86744102
heptadec-2-en-7-one
CID 54227331
acetic acid;(E)-tetradec-7-ene
CID 174697247
pentadeca-2,10-diene
CID 174048350

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-2-ene;propan-2-one?
The IUPAC name of (Z)-dodec-2-ene;propan-2-one (CID 175013676) is (Z)-dodec-2-ene;propan-2-one.
What is the SMILES notation for (Z)-dodec-2-ene;propan-2-one?
The canonical SMILES for (Z)-dodec-2-ene;propan-2-one is C/C=C\CCCCCCCCC.CC(C)=O.
What is the InChIKey of (Z)-dodec-2-ene;propan-2-one?
The InChIKey is MXCIPQWTQXVJQG-FBZPGIPVSA-N. The full InChI is InChI=1S/C12H24.C3H6O/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4/h3,5H,4,6-12H2,1-2H3;1-2H3/b5-3-;.
What are the key properties of (Z)-dodec-2-ene;propan-2-one?
(Z)-dodec-2-ene;propan-2-one has a molecular weight of 226.40 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-2-ene;propan-2-one is sourced from PubChem (CID 175013676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).