dilithium;5,6-dipropyldeca-4,6-diene

C16H28Li2 — CID 11172360

IUPACdilithium;5,6-dipropyldeca-4,6-diene
SMILESCCC/[C-]=C(CCC)/C(=[C-]/CCC)CCC.[Li+].[Li+]
InChIInChI=1S/C16H28.2Li/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2;;/h5-12H2,1-4H3;;/q-2;2*+1
InChIKeyFEUVJPSINKULRT-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.35
Rot. Bonds9

About dilithium;5,6-dipropyldeca-4,6-diene

dilithium;5,6-dipropyldeca-4,6-diene (PubChem CID 11172360) has the molecular formula C16H28Li2 and a molecular weight of 234.28 g/mol. Its IUPAC name is dilithium;5,6-dipropyldeca-4,6-diene.

Molecular Properties

Compound Namedilithium;5,6-dipropyldeca-4,6-diene
PubChem CID11172360
Molecular FormulaC16H28Li2
Molecular Weight234.28 g/mol
Exact Mass234.25
IUPAC Namedilithium;5,6-dipropyldeca-4,6-diene
SMILESCCC/[C-]=C(CCC)/C(=[C-]/CCC)CCC.[Li+].[Li+]
InChIInChI=1S/C16H28.2Li/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2;;/h5-12H2,1-4H3;;/q-2;2*+1
InChIKeyFEUVJPSINKULRT-UHFFFAOYSA-N
XLogP-0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dimethyl-1,1'-bi(cyclooctene)
CID 13554123
Cyclotetradecene, 1,2-dimethyl-
CID 5376356
(1E)-1,2-dimethylcyclotetradecene
CID 6537103
1,2,3,4-Tetraethyl-1,4-dilithio-1,3-butadiene
CID 11423896
Dilithium;6,7-dibutyldodeca-5,7-diene
CID 12982544
3,4-Dimethylidene-1,2-dipentylcyclobutene
CID 14291121
2,3,4,5-Tetrapropylmagnesacyclopenta-2,4-diene
CID 129744375
Dilithium;1-oct-4-en-4-ylcyclohexene
CID 134880482
Dilithium;1-hex-3-en-3-ylcyclohexene
CID 134895914
3-Nonan-5-ylidene-1,2-dipropylcyclobutene
CID 138963747
Dilithium;5-but-2-en-2-yldec-5-ene
CID 164665606
1,2-Dibutyl-3,4-di(propan-2-ylidene)cyclobut-1-ene
CID 164887659

Frequently Asked Questions

What is the IUPAC name of dilithium;5,6-dipropyldeca-4,6-diene?
The IUPAC name of dilithium;5,6-dipropyldeca-4,6-diene (CID 11172360) is dilithium;5,6-dipropyldeca-4,6-diene.
What is the SMILES notation for dilithium;5,6-dipropyldeca-4,6-diene?
The canonical SMILES for dilithium;5,6-dipropyldeca-4,6-diene is CCC/[C-]=C(CCC)/C(=[C-]/CCC)CCC.[Li+].[Li+].
What is the InChIKey of dilithium;5,6-dipropyldeca-4,6-diene?
The InChIKey is FEUVJPSINKULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28.2Li/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2;;/h5-12H2,1-4H3;;/q-2;2*+1.
What are the key properties of dilithium;5,6-dipropyldeca-4,6-diene?
dilithium;5,6-dipropyldeca-4,6-diene has a molecular weight of 234.28 g/mol, XLogP of -0.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5,6-dipropyldeca-4,6-diene is sourced from PubChem (CID 11172360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).