bis(dec-1-ene);nonadeca-9,10-diene

C39H76 — CID 91436837

IUPACbis(dec-1-ene);nonadeca-9,10-diene
SMILESC=CCCCCCCCC.C=CCCCCCCCC.CCCCCCCCC=C=CCCCCCCCC
InChIInChI=1S/C19H36.2C10H20/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2/h17-18H,3-16H2,1-2H3;2*3H,1,4-10H2,2H3
InChIKeyZAYZSWSAVKSQAM-UHFFFAOYSA-N
MW545.04 g/mol
LogP15.04
Rot. Bonds28

About bis(dec-1-ene);nonadeca-9,10-diene

bis(dec-1-ene);nonadeca-9,10-diene (PubChem CID 91436837) has the molecular formula C39H76 and a molecular weight of 545.04 g/mol. Its IUPAC name is bis(dec-1-ene);nonadeca-9,10-diene.

Molecular Properties

Compound Namebis(dec-1-ene);nonadeca-9,10-diene
PubChem CID91436837
Molecular FormulaC39H76
Molecular Weight545.04 g/mol
Exact Mass544.59
IUPAC Namebis(dec-1-ene);nonadeca-9,10-diene
SMILESC=CCCCCCCCC.C=CCCCCCCCC.CCCCCCCCC=C=CCCCCCCCC
InChIInChI=1S/C19H36.2C10H20/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2/h17-18H,3-16H2,1-2H3;2*3H,1,4-10H2,2H3
InChIKeyZAYZSWSAVKSQAM-UHFFFAOYSA-N
XLogP15.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.04
LogP ≤ 515.04
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'}

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Related Compounds

pentadeca-1,4,5-triene
CID 174394424
pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
octadec-1-ene;tetradec-1-ene
CID 158470925
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
oct-1-ene;hydrobromide
CID 88838560
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494

Frequently Asked Questions

What is the IUPAC name of bis(dec-1-ene);nonadeca-9,10-diene?
The IUPAC name of bis(dec-1-ene);nonadeca-9,10-diene (CID 91436837) is bis(dec-1-ene);nonadeca-9,10-diene.
What is the SMILES notation for bis(dec-1-ene);nonadeca-9,10-diene?
The canonical SMILES for bis(dec-1-ene);nonadeca-9,10-diene is C=CCCCCCCCC.C=CCCCCCCCC.CCCCCCCCC=C=CCCCCCCCC.
What is the InChIKey of bis(dec-1-ene);nonadeca-9,10-diene?
The InChIKey is ZAYZSWSAVKSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36.2C10H20/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2/h17-18H,3-16H2,1-2H3;2*3H,1,4-10H2,2H3.
What are the key properties of bis(dec-1-ene);nonadeca-9,10-diene?
bis(dec-1-ene);nonadeca-9,10-diene has a molecular weight of 545.04 g/mol, XLogP of 15.04, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dec-1-ene);nonadeca-9,10-diene is sourced from PubChem (CID 91436837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).