dilithium;6,7-dibutyldodeca-5,7-diene

C20H36Li2 — CID 12982544

IUPACdilithium;6,7-dibutyldodeca-5,7-diene
SMILESCCCC/[C-]=C(CCCC)/C(=[C-]/CCCC)CCCC.[Li+].[Li+]
InChIInChI=1S/C20H36.2Li/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2;;/h5-16H2,1-4H3;;/q-2;2*+1
InChIKeySYXRHTUSCNBESG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.21
Rot. Bonds13

About dilithium;6,7-dibutyldodeca-5,7-diene

dilithium;6,7-dibutyldodeca-5,7-diene (PubChem CID 12982544) has the molecular formula C20H36Li2 and a molecular weight of 290.39 g/mol. Its IUPAC name is dilithium;6,7-dibutyldodeca-5,7-diene.

Molecular Properties

Compound Namedilithium;6,7-dibutyldodeca-5,7-diene
PubChem CID12982544
Molecular FormulaC20H36Li2
Molecular Weight290.39 g/mol
Exact Mass290.31
IUPAC Namedilithium;6,7-dibutyldodeca-5,7-diene
SMILESCCCC/[C-]=C(CCCC)/C(=[C-]/CCCC)CCCC.[Li+].[Li+]
InChIInChI=1S/C20H36.2Li/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2;;/h5-16H2,1-4H3;;/q-2;2*+1
InChIKeySYXRHTUSCNBESG-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5,6-Dibutyl-dec-5-ene
CID 11807167
5,8-Dibutyldodeca-5,7-diene
CID 13639295
8-Hexadecene, 8,9-diheptyl-
CID 634521
(+)-(e)-1,2-Dipentylcyclododecene
CID 13102001
6,9-Dipentyltetradeca-6,8-diene
CID 85652530
7,8-Diethyltetradec-7-ene
CID 53634076
9,10-Dimethylicos-9-ene
CID 86104511
Octapropylcyclooctatetraene
CID 6312601
6,7-Dibutyldodeca-5,7-diene
CID 10875610
Dilithio-1,2,3,4-tetrapropyl-1,3-butadiene
CID 11172360
1,2,3,4-Tetraethyl-1,4-dilithio-1,3-butadiene
CID 11423896
(1Z,3Z,5Z,7Z)-1,2,3,4,5,6,7,8-octabutylcycloocta-1,3,5,7-tetraene
CID 11541284

Frequently Asked Questions

What is the IUPAC name of dilithium;6,7-dibutyldodeca-5,7-diene?
The IUPAC name of dilithium;6,7-dibutyldodeca-5,7-diene (CID 12982544) is dilithium;6,7-dibutyldodeca-5,7-diene.
What is the SMILES notation for dilithium;6,7-dibutyldodeca-5,7-diene?
The canonical SMILES for dilithium;6,7-dibutyldodeca-5,7-diene is CCCC/[C-]=C(CCCC)/C(=[C-]/CCCC)CCCC.[Li+].[Li+].
What is the InChIKey of dilithium;6,7-dibutyldodeca-5,7-diene?
The InChIKey is SYXRHTUSCNBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36.2Li/c1-5-9-13-17-19(15-11-7-3)20(16-12-8-4)18-14-10-6-2;;/h5-16H2,1-4H3;;/q-2;2*+1.
What are the key properties of dilithium;6,7-dibutyldodeca-5,7-diene?
dilithium;6,7-dibutyldodeca-5,7-diene has a molecular weight of 290.39 g/mol, XLogP of 1.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;6,7-dibutyldodeca-5,7-diene is sourced from PubChem (CID 12982544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).