ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate

C16H26O4 — CID 174714646

IUPACethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)CC1(CC)CCC2CC(O)CCC2C1=O
InChIInChI=1S/C16H26O4/c1-3-16(10-14(18)20-4-2)8-7-11-9-12(17)5-6-13(11)15(16)19/h11-13,17H,3-10H2,1-2H3
InChIKeyGBDYSQMQQLPPCP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate

ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate (PubChem CID 174714646) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate
PubChem CID174714646
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Nameethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate
SMILESCCOC(=O)CC1(CC)CCC2CC(O)CCC2C1=O
InChIInChI=1S/C16H26O4/c1-3-16(10-14(18)20-4-2)8-7-11-9-12(17)5-6-13(11)15(16)19/h11-13,17H,3-10H2,1-2H3
InChIKeyGBDYSQMQQLPPCP-UHFFFAOYSA-N
XLogP2.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate with MolForge

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Related Compounds

ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477298
ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
CID 64624874
4-ethoxycarbonyl-1-(2-ethoxy-2-oxoethyl)-2-(fluoromethyl)-3-oxocyclohexan-1-olate
CID 135010853
ethyl 2-(7-benzyl-7-azabicyclo[2.2.1]heptan-1-yl)acetate
CID 10707427
ethyl 2-[(1R,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]acetate
CID 69021781
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
CID 56638242
ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
CID 159851625
ethyl 3-[4-[(1S,3R)-3-hydroxycyclopentyl]cyclohexa-1,5-dien-1-yl]propanoate
CID 70827465
ethyl 2-(1,2,4,5-tetrahydroxycyclononyl)acetate
CID 141218819
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
CID 65236795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate (CID 174714646) is ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate is CCOC(=O)CC1(CC)CCC2CC(O)CCC2C1=O.
What is the InChIKey of ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate?
The InChIKey is GBDYSQMQQLPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-3-16(10-14(18)20-4-2)8-7-11-9-12(17)5-6-13(11)15(16)19/h11-13,17H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate?
ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate has a molecular weight of 282.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-6-hydroxy-1-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 174714646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).