[(Z)-dodec-7-enyl] prop-2-enoate

C15H26O2 — CID 171776211

IUPAC[(Z)-dodec-7-enyl] prop-2-enoate
SMILESC=CC(=O)OCCCCCC/C=C\CCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,7-8H,2-3,5-6,9-14H2,1H3/b8-7-
InChIKeyTVCDOJYCKVAYER-FPLPWBNLSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds11

About [(Z)-dodec-7-enyl] prop-2-enoate

[(Z)-dodec-7-enyl] prop-2-enoate (PubChem CID 171776211) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(Z)-dodec-7-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(Z)-dodec-7-enyl] prop-2-enoate
PubChem CID171776211
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(Z)-dodec-7-enyl] prop-2-enoate
SMILESC=CC(=O)OCCCCCC/C=C\CCCC
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,7-8H,2-3,5-6,9-14H2,1H3/b8-7-
InChIKeyTVCDOJYCKVAYER-FPLPWBNLSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
bis(dodec-7-enyl) (Z)-but-2-enedioate
CID 175499448
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168

Frequently Asked Questions

What is the IUPAC name of [(Z)-dodec-7-enyl] prop-2-enoate?
The IUPAC name of [(Z)-dodec-7-enyl] prop-2-enoate (CID 171776211) is [(Z)-dodec-7-enyl] prop-2-enoate.
What is the SMILES notation for [(Z)-dodec-7-enyl] prop-2-enoate?
The canonical SMILES for [(Z)-dodec-7-enyl] prop-2-enoate is C=CC(=O)OCCCCCC/C=C\CCCC.
What is the InChIKey of [(Z)-dodec-7-enyl] prop-2-enoate?
The InChIKey is TVCDOJYCKVAYER-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4,7-8H,2-3,5-6,9-14H2,1H3/b8-7-.
What are the key properties of [(Z)-dodec-7-enyl] prop-2-enoate?
[(Z)-dodec-7-enyl] prop-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-dodec-7-enyl] prop-2-enoate is sourced from PubChem (CID 171776211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).