1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone

C12H20O2 — CID 24975216

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone
SMILESO=C(CO)C1CCCC2CCCCC21
InChIInChI=1S/C12H20O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h9-11,13H,1-8H2
InChIKeyRIDVWZGXBOXYQR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.15
Rot. Bonds2

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone (PubChem CID 24975216) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone
PubChem CID24975216
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone
SMILESO=C(CO)C1CCCC2CCCCC21
InChIInChI=1S/C12H20O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h9-11,13H,1-8H2
InChIKeyRIDVWZGXBOXYQR-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-hydroxyethanone
CID 130918400
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-(2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulen-8-yl)butane-1,4-dione
CID 90919101
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
2,6-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)hex-1-ene-1,6-dione
CID 91409531
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-9-cycloheptylnonane-1,8-dione
CID 91040441
1-[(1R)-2-(2-hydroxyacetyl)cyclopentyl]-2-methylpropan-1-one
CID 59080135
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-7-methylnonane-1,6-dione
CID 91434487
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione
CID 90871527
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-methylbut-2-enedioic acid
CID 70037885
2-hydroxy-1-[5-(2-hydroxyacetyl)-2-bicyclo[2.2.2]octanyl]ethanone
CID 118500429
(1R,2R,7R)-bicyclo[5.2.0]nonane-2-carboxamide
CID 125180717
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone
CID 177221987

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone (CID 24975216) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone is O=C(CO)C1CCCC2CCCCC21.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone?
The InChIKey is RIDVWZGXBOXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h9-11,13H,1-8H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone has a molecular weight of 196.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 24975216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).