lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate

C11H15LiO — CID 23673942

IUPAClithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate
SMILESC[C@]12CC=C([O-])C=C1CCCC2.[Li+]
InChIInChI=1S/C11H16O.Li/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h5,8,12H,2-4,6-7H2,1H3;/q;+1/p-1/t11-;/m0./s1
InChIKeyYUMILHMWIGSMOH-MERQFXBCSA-M
MW170.18 g/mol
LogP-0.86
Rot. Bonds

About lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate

lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate (PubChem CID 23673942) has the molecular formula C11H15LiO and a molecular weight of 170.18 g/mol. Its IUPAC name is lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate.

Molecular Properties

Compound Namelithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate
PubChem CID23673942
Molecular FormulaC11H15LiO
Molecular Weight170.18 g/mol
Exact Mass170.13
IUPAC Namelithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate
SMILESC[C@]12CC=C([O-])C=C1CCCC2.[Li+]
InChIInChI=1S/C11H16O.Li/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h5,8,12H,2-4,6-7H2,1H3;/q;+1/p-1/t11-;/m0./s1
InChIKeyYUMILHMWIGSMOH-MERQFXBCSA-M
XLogP-0.86
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
CID 134905769
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
N-[(E)-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]amino]-N-methylmethanamine
CID 11264232
(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130741530
6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine
CID 163961063
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513
N,N-dimethylmethanamine;5-methylbicyclo[3.1.0]hex-1(6)-ene
CID 175485218
4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 22950908
(1R,8S)-8-methyltricyclo[6.3.1.01,6]dodec-6-en-9-one
CID 11127079
(E)-N-[(E)-(4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene)amino]-3-methyl-1,3-benzothiazol-2-imine
CID 5466196

Frequently Asked Questions

What is the IUPAC name of lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate?
The IUPAC name of lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate (CID 23673942) is lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate.
What is the SMILES notation for lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate?
The canonical SMILES for lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate is C[C@]12CC=C([O-])C=C1CCCC2.[Li+].
What is the InChIKey of lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate?
The InChIKey is YUMILHMWIGSMOH-MERQFXBCSA-M. The full InChI is InChI=1S/C11H16O.Li/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h5,8,12H,2-4,6-7H2,1H3;/q;+1/p-1/t11-;/m0./s1.
What are the key properties of lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate?
lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate has a molecular weight of 170.18 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4aS)-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-olate is sourced from PubChem (CID 23673942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).