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

C12H20O3 — CID 6427576

IUPAC[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CCC2C[C@H](O)CCC2C1
InChIInChI=1S/C12H20O3/c1-8(13)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h9-12,14H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyKGOAGXZCQFDBOX-KIDURHIOSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds1

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

[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate (PubChem CID 6427576) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
PubChem CID6427576
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CCC2C[C@H](O)CCC2C1
InChIInChI=1S/C12H20O3/c1-8(13)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h9-12,14H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1
InChIKeyKGOAGXZCQFDBOX-KIDURHIOSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 123494192
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
(4-carbonochloridoyloxycyclohexyl) acetate;(4-hydroxycyclohexyl) acetate
CID 161130636
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
methyl (2R,3aR,5S,7aS)-5-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 124857523
[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate
CID 11903962
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
CID 2831824
[(1S,2S,3S,4S)-3-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 6579410
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731
[(1R,3R)-3-(4-butylcyclohexyl)cyclohexyl] acetate
CID 18640217

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The IUPAC name of [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate (CID 6427576) is [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The canonical SMILES for [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate is CC(=O)O[C@@H]1CCC2C[C@H](O)CCC2C1.
What is the InChIKey of [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
The InChIKey is KGOAGXZCQFDBOX-KIDURHIOSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(13)15-12-5-3-9-6-11(14)4-2-10(9)7-12/h9-12,14H,2-7H2,1H3/t9?,10?,11-,12-/m1/s1.
What are the key properties of [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate?
[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate has a molecular weight of 212.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 6427576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).