dilithium;(3R)-undecan-3-olate

C11H22Li2O — CID 134905430

IUPACdilithium;(3R)-undecan-3-olate
SMILES[CH2-]C[C@@H]([O-])CCCCCCCC.[Li+].[Li+]
InChIInChI=1S/C11H22O.2Li/c1-3-5-6-7-8-9-10-11(12)4-2;;/h11H,2-10H2,1H3;;/q-2;2*+1/t11-;;/m1../s1
InChIKeyBCTCSRHODMSZDJ-NVJADKKVSA-N
MW184.18 g/mol
LogP-3.30
Rot. Bonds8

About dilithium;(3R)-undecan-3-olate

dilithium;(3R)-undecan-3-olate (PubChem CID 134905430) has the molecular formula C11H22Li2O and a molecular weight of 184.18 g/mol. Its IUPAC name is dilithium;(3R)-undecan-3-olate.

Molecular Properties

Compound Namedilithium;(3R)-undecan-3-olate
PubChem CID134905430
Molecular FormulaC11H22Li2O
Molecular Weight184.18 g/mol
Exact Mass184.20
IUPAC Namedilithium;(3R)-undecan-3-olate
SMILES[CH2-]C[C@@H]([O-])CCCCCCCC.[Li+].[Li+]
InChIInChI=1S/C11H22O.2Li/c1-3-5-6-7-8-9-10-11(12)4-2;;/h11H,2-10H2,1H3;;/q-2;2*+1/t11-;;/m1../s1
InChIKeyBCTCSRHODMSZDJ-NVJADKKVSA-N
XLogP-3.30
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 5-3.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(octan-3-olate);titanium(4+)
CID 22250648
sodium 1-aminododecan-2-olate
CID 88793038
tetrakis(nonan-5-olate);tin(4+)
CID 160574109
sodium nonan-2-olate
CID 23695654
3-ethylpentacosane
CID 22224239
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
potassium heptan-3-olate
CID 140992163
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902

Frequently Asked Questions

What is the IUPAC name of dilithium;(3R)-undecan-3-olate?
The IUPAC name of dilithium;(3R)-undecan-3-olate (CID 134905430) is dilithium;(3R)-undecan-3-olate.
What is the SMILES notation for dilithium;(3R)-undecan-3-olate?
The canonical SMILES for dilithium;(3R)-undecan-3-olate is [CH2-]C[C@@H]([O-])CCCCCCCC.[Li+].[Li+].
What is the InChIKey of dilithium;(3R)-undecan-3-olate?
The InChIKey is BCTCSRHODMSZDJ-NVJADKKVSA-N. The full InChI is InChI=1S/C11H22O.2Li/c1-3-5-6-7-8-9-10-11(12)4-2;;/h11H,2-10H2,1H3;;/q-2;2*+1/t11-;;/m1../s1.
What are the key properties of dilithium;(3R)-undecan-3-olate?
dilithium;(3R)-undecan-3-olate has a molecular weight of 184.18 g/mol, XLogP of -3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(3R)-undecan-3-olate is sourced from PubChem (CID 134905430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).