(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne

C22H34 — CID 140886931

IUPAC(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne
SMILESC#CCCCCC/C=C\C(C)C(C)/C=C\CCCCCC#C
InChIInChI=1S/C22H34/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h1-2,17-22H,7-16H2,3-4H3/b19-17-,20-18-
InChIKeyXGBPAOZRODCUNA-CLFAGFIQSA-N
MW298.51 g/mol
LogP6.54
Rot. Bonds13

About (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne

(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne (PubChem CID 140886931) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne.

Molecular Properties

Compound Name(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne
PubChem CID140886931
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne
SMILESC#CCCCCC/C=C\C(C)C(C)/C=C\CCCCCC#C
InChIInChI=1S/C22H34/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h1-2,17-22H,7-16H2,3-4H3/b19-17-,20-18-
InChIKeyXGBPAOZRODCUNA-CLFAGFIQSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.54
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

[(E)-dec-2-en-9-ynyl]-trimethylsilane
CID 10584513
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
12-methyltridec-1-yne
CID 10921423
deca-1,9-diene;deca-1,9-diyne
CID 167656021
2-[(E)-dodec-1-en-11-ynyl]-1,3-dioxolane
CID 11149074
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
19-methylicos-4-en-1-yn-3-ol
CID 1660
4,5-dimethylicos-6-ene
CID 72645531
oct-1-yne
CID 19597608

Frequently Asked Questions

What is the IUPAC name of (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne?
The IUPAC name of (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne (CID 140886931) is (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne.
What is the SMILES notation for (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne?
The canonical SMILES for (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne is C#CCCCCC/C=C\C(C)C(C)/C=C\CCCCCC#C.
What is the InChIKey of (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne?
The InChIKey is XGBPAOZRODCUNA-CLFAGFIQSA-N. The full InChI is InChI=1S/C22H34/c1-5-7-9-11-13-15-17-19-21(3)22(4)20-18-16-14-12-10-8-6-2/h1-2,17-22H,7-16H2,3-4H3/b19-17-,20-18-.
What are the key properties of (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne?
(8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne has a molecular weight of 298.51 g/mol, XLogP of 6.54, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,12Z)-10,11-dimethylicosa-8,12-dien-1,19-diyne is sourced from PubChem (CID 140886931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).