lithium (1E)-cyclododecen-1-olate

C12H21LiO — CID 23682255

IUPAClithium (1E)-cyclododecen-1-olate
SMILES[Li+].[O-]/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H22O.Li/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h10,13H,1-9,11H2;/q;+1/p-1/b12-10+;
InChIKeyPCOSBYHHYBXRFN-VHPXAQPISA-M
MW188.24 g/mol
LogP0.15
Rot. Bonds

About lithium (1E)-cyclododecen-1-olate

lithium (1E)-cyclododecen-1-olate (PubChem CID 23682255) has the molecular formula C12H21LiO and a molecular weight of 188.24 g/mol. Its IUPAC name is lithium (1E)-cyclododecen-1-olate.

Molecular Properties

Compound Namelithium (1E)-cyclododecen-1-olate
PubChem CID23682255
Molecular FormulaC12H21LiO
Molecular Weight188.24 g/mol
Exact Mass188.18
IUPAC Namelithium (1E)-cyclododecen-1-olate
SMILES[Li+].[O-]/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H22O.Li/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h10,13H,1-9,11H2;/q;+1/p-1/b12-10+;
InChIKeyPCOSBYHHYBXRFN-VHPXAQPISA-M
XLogP0.15
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
(1E)-1-bromocyclododecene
CID 12594202
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
cyclohexenylsilane
CID 23102944
1-bromocyclohexene
CID 519775
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1E)-1-iodocyclononene
CID 169083106
cyclohexadecen-1-amine
CID 175415425
(1Z)-cyclododecen-1-ol
CID 69035385
1-iodocyclodecene
CID 72665352
cyclodecen-1-yl-[(1E)-cyclodecen-1-yl]phosphane
CID 173167887

Frequently Asked Questions

What is the IUPAC name of lithium (1E)-cyclododecen-1-olate?
The IUPAC name of lithium (1E)-cyclododecen-1-olate (CID 23682255) is lithium (1E)-cyclododecen-1-olate.
What is the SMILES notation for lithium (1E)-cyclododecen-1-olate?
The canonical SMILES for lithium (1E)-cyclododecen-1-olate is [Li+].[O-]/C1=C/CCCCCCCCCC1.
What is the InChIKey of lithium (1E)-cyclododecen-1-olate?
The InChIKey is PCOSBYHHYBXRFN-VHPXAQPISA-M. The full InChI is InChI=1S/C12H22O.Li/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;/h10,13H,1-9,11H2;/q;+1/p-1/b12-10+;.
What are the key properties of lithium (1E)-cyclododecen-1-olate?
lithium (1E)-cyclododecen-1-olate has a molecular weight of 188.24 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (1E)-cyclododecen-1-olate is sourced from PubChem (CID 23682255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).