(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione

C12H16O2 — CID 102156488

IUPAC(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
SMILESO=C1CC[C@H]2[C@@H]3CCC(=O)[C@H]3CC[C@H]12
InChIInChI=1S/C12H16O2/c13-11-5-3-7-8-4-6-12(14)10(8)2-1-9(7)11/h7-10H,1-6H2/t7-,8-,9-,10-/m0/s1
InChIKeyROCQQNIMFCEFAG-XKNYDFJKSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds

About (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione

(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione (PubChem CID 102156488) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione.

Molecular Properties

Compound Name(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
PubChem CID102156488
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
SMILESO=C1CC[C@H]2[C@@H]3CCC(=O)[C@H]3CC[C@H]12
InChIInChI=1S/C12H16O2/c13-11-5-3-7-8-4-6-12(14)10(8)2-1-9(7)11/h7-10H,1-6H2/t7-,8-,9-,10-/m0/s1
InChIKeyROCQQNIMFCEFAG-XKNYDFJKSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione with MolForge

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Related Compounds

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CID 102156481
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 14045037
16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
CID 175059338
(3aS,6aR)-4-propyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 89178100
bicyclo[3.2.0]heptan-2-one
CID 543759
(1S,2S,6S,7S)-tricyclo[5.3.0.02,6]decane-3,10-dione
CID 2752996
(1R,5R,6R)-6-methylbicyclo[3.2.0]heptan-2-one
CID 129403940
(8S,9S,13S,14S)-3-hydroxy-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 21118274
3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 141269176
(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10534861
(4R,4aS,8aS)-4-chloro-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 101163934
(1R,5S,6S)-6-(hydroxymethyl)bicyclo[3.2.0]heptan-2-one
CID 102285247

Frequently Asked Questions

What is the IUPAC name of (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione?
The IUPAC name of (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione (CID 102156488) is (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione.
What is the SMILES notation for (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione?
The canonical SMILES for (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione is O=C1CC[C@H]2[C@@H]3CCC(=O)[C@H]3CC[C@H]12.
What is the InChIKey of (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione?
The InChIKey is ROCQQNIMFCEFAG-XKNYDFJKSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-5-3-7-8-4-6-12(14)10(8)2-1-9(7)11/h7-10H,1-6H2/t7-,8-,9-,10-/m0/s1.
What are the key properties of (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione?
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione has a molecular weight of 192.26 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione is sourced from PubChem (CID 102156488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).