lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate

C11H17LiO — CID 134889591

IUPAClithium 5,9-dimethylspiro[3.5]non-2-en-3-olate
SMILESCC1CCCC(C)C12CC=C2[O-].[Li+]
InChIInChI=1S/C11H18O.Li/c1-8-4-3-5-9(2)11(8)7-6-10(11)12;/h6,8-9,12H,3-5,7H2,1-2H3;/q;+1/p-1
InChIKeyWEJOUUBGLLGTOV-UHFFFAOYSA-M
MW172.20 g/mol
LogP-0.92
Rot. Bonds

About lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate

lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate (PubChem CID 134889591) has the molecular formula C11H17LiO and a molecular weight of 172.20 g/mol. Its IUPAC name is lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate.

Molecular Properties

Compound Namelithium 5,9-dimethylspiro[3.5]non-2-en-3-olate
PubChem CID134889591
Molecular FormulaC11H17LiO
Molecular Weight172.20 g/mol
Exact Mass172.14
IUPAC Namelithium 5,9-dimethylspiro[3.5]non-2-en-3-olate
SMILESCC1CCCC(C)C12CC=C2[O-].[Li+]
InChIInChI=1S/C11H18O.Li/c1-8-4-3-5-9(2)11(8)7-6-10(11)12;/h6,8-9,12H,3-5,7H2,1-2H3;/q;+1/p-1
InChIKeyWEJOUUBGLLGTOV-UHFFFAOYSA-M
XLogP-0.92
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate?
The IUPAC name of lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate (CID 134889591) is lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate.
What is the SMILES notation for lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate?
The canonical SMILES for lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate is CC1CCCC(C)C12CC=C2[O-].[Li+].
What is the InChIKey of lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate?
The InChIKey is WEJOUUBGLLGTOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18O.Li/c1-8-4-3-5-9(2)11(8)7-6-10(11)12;/h6,8-9,12H,3-5,7H2,1-2H3;/q;+1/p-1.
What are the key properties of lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate?
lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate has a molecular weight of 172.20 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5,9-dimethylspiro[3.5]non-2-en-3-olate is sourced from PubChem (CID 134889591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).