[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate

C12H20O2 — CID 123494192

IUPAC[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H]2CCCCC2C1
InChIInChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3/t10-,11?,12+/m0/s1
InChIKeyXKCLIPLFEJSOAT-ASKATJPDSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds1

About [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate

[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate (PubChem CID 123494192) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
PubChem CID123494192
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H]2CCCCC2C1
InChIInChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3/t10-,11?,12+/m0/s1
InChIKeyXKCLIPLFEJSOAT-ASKATJPDSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate with MolForge

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 6427576
[(1R,3R)-3-(4-butylcyclohexyl)cyclohexyl] acetate
CID 18640217
[3-(4-pentylcyclohexyl)cyclohexyl] acetate
CID 23040988
[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate
CID 11903962
(6-acetyloxycyclodecyl) acetate
CID 539578
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
CID 2831824
cycloheptadecyl acetate
CID 57215828
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264

Frequently Asked Questions

What is the IUPAC name of [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The IUPAC name of [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate (CID 123494192) is [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The canonical SMILES for [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate is CC(=O)O[C@@H]1CC[C@@H]2CCCCC2C1.
What is the InChIKey of [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The InChIKey is XKCLIPLFEJSOAT-ASKATJPDSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3/t10-,11?,12+/m0/s1.
What are the key properties of [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate has a molecular weight of 196.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 123494192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).