potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate

C11H17KO — CID 134889666

IUPACpotassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
SMILESC[C@@]12CCCC[C@H]1C=C([O-])CC2.[K+]
InChIInChI=1S/C11H18O.K/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h8-9,12H,2-7H2,1H3;/q;+1/p-1/t9-,11-;/m0./s1
InChIKeyCYEBTFBLIWJLBI-ROLPUNSJSA-M
MW204.35 g/mol
LogP-0.78
Rot. Bonds

About potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate

potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate (PubChem CID 134889666) has the molecular formula C11H17KO and a molecular weight of 204.35 g/mol. Its IUPAC name is potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate.

Molecular Properties

Compound Namepotassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
PubChem CID134889666
Molecular FormulaC11H17KO
Molecular Weight204.35 g/mol
Exact Mass204.09
IUPAC Namepotassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate
SMILESC[C@@]12CCCC[C@H]1C=C([O-])CC2.[K+]
InChIInChI=1S/C11H18O.K/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h8-9,12H,2-7H2,1H3;/q;+1/p-1/t9-,11-;/m0./s1
InChIKeyCYEBTFBLIWJLBI-ROLPUNSJSA-M
XLogP-0.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate?
The IUPAC name of potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate (CID 134889666) is potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate.
What is the SMILES notation for potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate?
The canonical SMILES for potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate is C[C@@]12CCCC[C@H]1C=C([O-])CC2.[K+].
What is the InChIKey of potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate?
The InChIKey is CYEBTFBLIWJLBI-ROLPUNSJSA-M. The full InChI is InChI=1S/C11H18O.K/c1-11-6-3-2-4-9(11)8-10(12)5-7-11;/h8-9,12H,2-7H2,1H3;/q;+1/p-1/t9-,11-;/m0./s1.
What are the key properties of potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate?
potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate has a molecular weight of 204.35 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-2-olate is sourced from PubChem (CID 134889666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).