(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one

C11H18O2 — CID 12691911

IUPAC(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
SMILESC[C@]12CCCC[C@@]1(O)CC(=O)CC2
InChIInChI=1S/C11H18O2/c1-10-5-2-3-6-11(10,13)8-9(12)4-7-10/h13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyPFQWHUARQDXHHI-GHMZBOCLSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds

About (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one

(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one (PubChem CID 12691911) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
PubChem CID12691911
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
SMILESC[C@]12CCCC[C@@]1(O)CC(=O)CC2
InChIInChI=1S/C11H18O2/c1-10-5-2-3-6-11(10,13)8-9(12)4-7-10/h13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyPFQWHUARQDXHHI-GHMZBOCLSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one with MolForge

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Related Compounds

(4R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 11322384
3-Oxogeosmin
CID 21723482
(1S,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 15601420
2(1H)-Naphthalenone, octahydro-8a-hydroxy-4a-methyl-
CID 316461
(3R,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 44559305
(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
CID 101611687
(4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3,4a,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 102090423
Eutyperemophilane D
CID 156581652
(4aS,8aR)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 15440509
1-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethylperhydronaphthalen-2-yl]ethan-1-one
CID 15715112
Hydroxypinanone
CID 21585296
(4aS,8aS)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 40488528

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one?
The IUPAC name of (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one (CID 12691911) is (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one is C[C@]12CCCC[C@@]1(O)CC(=O)CC2.
What is the InChIKey of (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one?
The InChIKey is PFQWHUARQDXHHI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-10-5-2-3-6-11(10,13)8-9(12)4-7-10/h13H,2-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one?
(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one is sourced from PubChem (CID 12691911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).