4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione

C12H16O2 — CID 162866952

IUPAC4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
SMILESCC1=CC(=O)CC2(C)CCC(=O)CC12
InChIInChI=1S/C12H16O2/c1-8-5-10(14)7-12(2)4-3-9(13)6-11(8)12/h5,11H,3-4,6-7H2,1-2H3
InChIKeyUCCYFCZZQRJAPO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds

About 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione

4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione (PubChem CID 162866952) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione.

Molecular Properties

Compound Name4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
PubChem CID162866952
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
SMILESCC1=CC(=O)CC2(C)CCC(=O)CC12
InChIInChI=1S/C12H16O2/c1-8-5-10(14)7-12(2)4-3-9(13)6-11(8)12/h5,11H,3-4,6-7H2,1-2H3
InChIKeyUCCYFCZZQRJAPO-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione 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

(4aS,8aR)-4a,8-dimethyl-1,3,4,5,6,8a-hexahydronaphthalen-2-one
CID 129409996
(4aR,6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 162961713
(6R,8aR)-6-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-4a,5,7,8-tetrahydro-1H-naphthalen-2-one
CID 118477105
6-(3-hydroxyprop-1-en-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 565632
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 78076085
5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione
CID 4528511
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
CID 102135965
(3aS,7aR)-3,7a-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]-3a,4,6,7-tetrahydro-1H-inden-5-one
CID 175664969
3-cyclohexyl-3-methylcyclopentan-1-one
CID 116538592
10-acetyl-9-methylspiro[4.5]dec-8-en-7-one
CID 68723788
4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 85401037

Frequently Asked Questions

What is the IUPAC name of 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione?
The IUPAC name of 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione (CID 162866952) is 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione.
What is the SMILES notation for 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione?
The canonical SMILES for 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione is CC1=CC(=O)CC2(C)CCC(=O)CC12.
What is the InChIKey of 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione?
The InChIKey is UCCYFCZZQRJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-10(14)7-12(2)4-3-9(13)6-11(8)12/h5,11H,3-4,6-7H2,1-2H3.
What are the key properties of 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione?
4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione has a molecular weight of 192.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione is sourced from PubChem (CID 162866952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).