potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate

C12H21KO2 — CID 175847104

IUPACpotassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
SMILESCC(=O)[O-].CC1CCC2CC1C2(C)C.[K+]
InChIInChI=1S/C10H18.C2H4O2.K/c1-7-4-5-8-6-9(7)10(8,2)3;1-2(3)4;/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyKUZKWUDTTDNXMG-UHFFFAOYSA-M
MW236.40 g/mol
LogP-1.16
Rot. Bonds

About potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate

potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate (PubChem CID 175847104) has the molecular formula C12H21KO2 and a molecular weight of 236.40 g/mol. Its IUPAC name is potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate.

Molecular Properties

Compound Namepotassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
PubChem CID175847104
Molecular FormulaC12H21KO2
Molecular Weight236.40 g/mol
Exact Mass236.12
IUPAC Namepotassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
SMILESCC(=O)[O-].CC1CCC2CC1C2(C)C.[K+]
InChIInChI=1S/C10H18.C2H4O2.K/c1-7-4-5-8-6-9(7)10(8,2)3;1-2(3)4;/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyKUZKWUDTTDNXMG-UHFFFAOYSA-M
XLogP-1.16
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
carbamic acid;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 66784085
acetic acid;7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 71385260
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
4-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)butan-2-one
CID 134964412
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
CID 98513301
[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 13094010
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570

Frequently Asked Questions

What is the IUPAC name of potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate?
The IUPAC name of potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate (CID 175847104) is potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate.
What is the SMILES notation for potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate?
The canonical SMILES for potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate is CC(=O)[O-].CC1CCC2CC1C2(C)C.[K+].
What is the InChIKey of potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate?
The InChIKey is KUZKWUDTTDNXMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18.C2H4O2.K/c1-7-4-5-8-6-9(7)10(8,2)3;1-2(3)4;/h7-9H,4-6H2,1-3H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate?
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate has a molecular weight of 236.40 g/mol, XLogP of -1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate is sourced from PubChem (CID 175847104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).