(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne

C18H28 — CID 102258768

IUPAC(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
SMILESC=CC/C(C#CCCCC)=C(/CC=C)CCCC
InChIInChI=1S/C18H28/c1-5-9-11-12-16-18(14-8-4)17(13-7-3)15-10-6-2/h7-8H,3-6,9-11,13-15H2,1-2H3/b18-17+
InChIKeyKDQBUSDZEKZXLB-ISLYRVAYSA-N
MW244.42 g/mol
LogP5.82
Rot. Bonds9

About (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne

(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne (PubChem CID 102258768) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne.

Molecular Properties

Compound Name(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
PubChem CID102258768
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
SMILESC=CC/C(C#CCCCC)=C(/CC=C)CCCC
InChIInChI=1S/C18H28/c1-5-9-11-12-16-18(14-8-4)17(13-7-3)15-10-6-2/h7-8H,3-6,9-11,13-15H2,1-2H3/b18-17+
InChIKeyKDQBUSDZEKZXLB-ISLYRVAYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-butyl-7-hex-1-ynylpentadec-7-en-5,9-diyne
CID 135010412
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
undec-6-yn-5-one
CID 11240698
4,4-dimethylundec-1-en-6-yn-5-one
CID 10104052
(Z)-5-but-3-en-2-yl-6-prop-2-enyldec-5-ene
CID 134993838
(Z)-5-butyl-6-ethyl-2-methyldodec-5-en-3,7-diyn-2-ol
CID 10356000
CID 136834987
CID 136834987
(Z)-5-methylundec-4-en-6-yn-3-ol
CID 10511599
non-4-yn-3-one
CID 10887980
pentadeca-5,10-diyne
CID 15530767
CID 101375049
CID 101375049
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
CID 10981553

Frequently Asked Questions

What is the IUPAC name of (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne?
The IUPAC name of (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne (CID 102258768) is (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne.
What is the SMILES notation for (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne?
The canonical SMILES for (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne is C=CC/C(C#CCCCC)=C(/CC=C)CCCC.
What is the InChIKey of (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne?
The InChIKey is KDQBUSDZEKZXLB-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H28/c1-5-9-11-12-16-18(14-8-4)17(13-7-3)15-10-6-2/h7-8H,3-6,9-11,13-15H2,1-2H3/b18-17+.
What are the key properties of (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne?
(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne has a molecular weight of 244.42 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne is sourced from PubChem (CID 102258768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).