(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne

C14H22I2 — CID 10718132

IUPAC(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
SMILESCCCCC#C/C(I)=C(/CCI)CCCC
InChIInChI=1S/C14H22I2/c1-3-5-7-8-10-14(16)13(11-12-15)9-6-4-2/h3-7,9,11-12H2,1-2H3/b14-13-
InChIKeyHJZWCLITHSHWTD-YPKPFQOOSA-N
MW444.14 g/mol
LogP5.88
Rot. Bonds7

About (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne

(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne (PubChem CID 10718132) has the molecular formula C14H22I2 and a molecular weight of 444.14 g/mol. Its IUPAC name is (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne.

Molecular Properties

Compound Name(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
PubChem CID10718132
Molecular FormulaC14H22I2
Molecular Weight444.14 g/mol
Exact Mass443.98
IUPAC Name(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
SMILESCCCCC#C/C(I)=C(/CCI)CCCC
InChIInChI=1S/C14H22I2/c1-3-5-7-8-10-14(16)13(11-12-15)9-6-4-2/h3-7,9,11-12H2,1-2H3/b14-13-
InChIKeyHJZWCLITHSHWTD-YPKPFQOOSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.14
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Iodo-5-(2-iodoethyl)oct-4-ene
CID 73118559
(Z)-6-ethyl-5-iodododec-5-en-7-yne
CID 10471117
(Z)-5-iodo-6-(2-iodoethyl)dec-5-ene
CID 10598197
(Z)-6-butyl-5-iodohexadec-5-en-9-yne
CID 10873112
8-(Diiodomethylidene)tridec-6-yne
CID 154713317
1,2-Bis(2-iodoethynyl)cyclohexene
CID 101906425
(Z)-6-ethyl-7-iodoundec-6-en-4-yne
CID 10756872
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
CID 10981553
(Z)-4-iodo-5-(2-iodoethyl)oct-4-ene
CID 11825337
(E)-5-ethyl-6-iododec-5-ene
CID 12939513
1-Iodo-2-(6-iodohex-1-ynyl)cyclohexene
CID 24767062
1-Hex-1-ynyl-2-iodocyclohexene
CID 24767170

Frequently Asked Questions

What is the IUPAC name of (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne?
The IUPAC name of (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne (CID 10718132) is (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne.
What is the SMILES notation for (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne?
The canonical SMILES for (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne is CCCCC#C/C(I)=C(/CCI)CCCC.
What is the InChIKey of (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne?
The InChIKey is HJZWCLITHSHWTD-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H22I2/c1-3-5-7-8-10-14(16)13(11-12-15)9-6-4-2/h3-7,9,11-12H2,1-2H3/b14-13-.
What are the key properties of (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne?
(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne has a molecular weight of 444.14 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne is sourced from PubChem (CID 10718132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).