(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne

C18H29I — CID 10981553

IUPAC(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
SMILESCCCCC#C/C(CC)=C(CC)\C(CC)=C(/I)CC
InChIInChI=1S/C18H29I/c1-6-11-12-13-14-15(7-2)16(8-3)17(9-4)18(19)10-5/h6-12H2,1-5H3/b16-15-,18-17-
InChIKeyAZJPDZDFDMCLDU-IUILNFPDSA-N
MW372.33 g/mol
LogP6.81
Rot. Bonds7

About (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne

(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne (PubChem CID 10981553) has the molecular formula C18H29I and a molecular weight of 372.33 g/mol. Its IUPAC name is (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne.

Molecular Properties

Compound Name(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
PubChem CID10981553
Molecular FormulaC18H29I
Molecular Weight372.33 g/mol
Exact Mass372.13
IUPAC Name(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
SMILESCCCCC#C/C(CC)=C(CC)\C(CC)=C(/I)CC
InChIInChI=1S/C18H29I/c1-6-11-12-13-14-15(7-2)16(8-3)17(9-4)18(19)10-5/h6-12H2,1-5H3/b16-15-,18-17-
InChIKeyAZJPDZDFDMCLDU-IUILNFPDSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.33
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne with MolForge

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Related Compounds

non-4-yn-3-one
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CID 10356000
(3Z,5E)-4,5-diethyl-3-iodo-6-methylocta-3,5-diene
CID 102180711
pentadeca-5,10-diyne
CID 15530767
undec-6-yn-5-one
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(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
CID 102258768
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
CID 11807093
2,2-dimethylnon-4-yn-3-one
CID 10773384
(Z)-3-[(1Z)-3-bromobuta-1,3-dienyl]-2-ethylnon-2-en-4-ynenitrile
CID 155468158
oct-1-en-3-yn-2-ylbenzene
CID 86242377
tetradeca-4,9-diyne
CID 173328648

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne?
The IUPAC name of (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne (CID 10981553) is (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne.
What is the SMILES notation for (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne?
The canonical SMILES for (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne is CCCCC#C/C(CC)=C(CC)\C(CC)=C(/I)CC.
What is the InChIKey of (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne?
The InChIKey is AZJPDZDFDMCLDU-IUILNFPDSA-N. The full InChI is InChI=1S/C18H29I/c1-6-11-12-13-14-15(7-2)16(8-3)17(9-4)18(19)10-5/h6-12H2,1-5H3/b16-15-,18-17-.
What are the key properties of (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne?
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne has a molecular weight of 372.33 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne is sourced from PubChem (CID 10981553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).