dilithium;1-hex-3-en-3-ylcyclohexene

C12H18Li2 — CID 134895914

IUPACdilithium;1-hex-3-en-3-ylcyclohexene
SMILESCC/[C-]=C(\CC)C1=[C-]CCCC1.[Li+].[Li+]
InChIInChI=1S/C12H18.2Li/c1-3-8-11(4-2)12-9-6-5-7-10-12;;/h3-7,9H2,1-2H3;;/q-2;2*+1
InChIKeyDDFUFJVFWHFHRE-UHFFFAOYSA-N
MW176.16 g/mol
LogP-2.15
Rot. Bonds3

About dilithium;1-hex-3-en-3-ylcyclohexene

dilithium;1-hex-3-en-3-ylcyclohexene (PubChem CID 134895914) has the molecular formula C12H18Li2 and a molecular weight of 176.16 g/mol. Its IUPAC name is dilithium;1-hex-3-en-3-ylcyclohexene.

Molecular Properties

Compound Namedilithium;1-hex-3-en-3-ylcyclohexene
PubChem CID134895914
Molecular FormulaC12H18Li2
Molecular Weight176.16 g/mol
Exact Mass176.17
IUPAC Namedilithium;1-hex-3-en-3-ylcyclohexene
SMILESCC/[C-]=C(\CC)C1=[C-]CCCC1.[Li+].[Li+]
InChIInChI=1S/C12H18.2Li/c1-3-8-11(4-2)12-9-6-5-7-10-12;;/h3-7,9H2,1-2H3;;/q-2;2*+1
InChIKeyDDFUFJVFWHFHRE-UHFFFAOYSA-N
XLogP-2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexene, 1-ethyl-2-methyl-
CID 88242
1,2,3,4-Tetramethyl-1,3-cyclohexadiene
CID 14001368
1,2-Diethylcyclohex-1-ene
CID 21960480
1-Methyl-2-(prop-1-en-2-yl)cyclohex-1-ene
CID 22321479
1,2-Dimethyl-3-prop-1-enylidenecyclohexene
CID 14570813
2,3-Dimethyl-4,5,6,7-tetrahydroindene
CID 20661109
1-Heptyl-2-methylcyclohexene
CID 85944800
Hexylphenyl lithium
CID 140588893
1-[(E)-3-fluorobut-2-en-2-yl]-2-methylcyclohexene
CID 170100391
1,2-Dibutyl-cyclohexene
CID 12431617
Cyclohexene, 1-methyl-2-propyl-
CID 13227854
1-Methyl-2-pentyl cyclohexene
CID 13352508

Frequently Asked Questions

What is the IUPAC name of dilithium;1-hex-3-en-3-ylcyclohexene?
The IUPAC name of dilithium;1-hex-3-en-3-ylcyclohexene (CID 134895914) is dilithium;1-hex-3-en-3-ylcyclohexene.
What is the SMILES notation for dilithium;1-hex-3-en-3-ylcyclohexene?
The canonical SMILES for dilithium;1-hex-3-en-3-ylcyclohexene is CC/[C-]=C(\CC)C1=[C-]CCCC1.[Li+].[Li+].
What is the InChIKey of dilithium;1-hex-3-en-3-ylcyclohexene?
The InChIKey is DDFUFJVFWHFHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2Li/c1-3-8-11(4-2)12-9-6-5-7-10-12;;/h3-7,9H2,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;1-hex-3-en-3-ylcyclohexene?
dilithium;1-hex-3-en-3-ylcyclohexene has a molecular weight of 176.16 g/mol, XLogP of -2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-hex-3-en-3-ylcyclohexene is sourced from PubChem (CID 134895914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).