1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone

C14H24O2 — CID 15715112

IUPAC1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1
InChIInChI=1S/C14H24O2/c1-10(15)11-5-8-13(2)6-4-7-14(3,16)12(13)9-11/h11-12,16H,4-9H2,1-3H3/t11-,12-,13-,14-/m1/s1
InChIKeyWUXBKEFKDNZEEO-AAVRWANBSA-N
MW224.34 g/mol
LogP2.93
Rot. Bonds1

About 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone

1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone (PubChem CID 15715112) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone
PubChem CID15715112
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1
InChIInChI=1S/C14H24O2/c1-10(15)11-5-8-13(2)6-4-7-14(3,16)12(13)9-11/h11-12,16H,4-9H2,1-3H3/t11-,12-,13-,14-/m1/s1
InChIKeyWUXBKEFKDNZEEO-AAVRWANBSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone (CID 15715112) is 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone is CC(=O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1.
What is the InChIKey of 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone?
The InChIKey is WUXBKEFKDNZEEO-AAVRWANBSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(15)11-5-8-13(2)6-4-7-14(3,16)12(13)9-11/h11-12,16H,4-9H2,1-3H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone?
1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone has a molecular weight of 224.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 15715112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).