(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione

C14H20O2 — CID 102156481

IUPAC(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
SMILESO=C1CCC[C@@H]2[C@H]3CCCC(=O)[C@@H]3CC[C@@H]12
InChIInChI=1S/C14H20O2/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h9-12H,1-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyCOEJRKXTVJQPSA-DDHJBXDOSA-N
MW220.31 g/mol
LogP2.75
Rot. Bonds

About (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione

(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione (PubChem CID 102156481) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione.

Molecular Properties

Compound Name(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
PubChem CID102156481
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
SMILESO=C1CCC[C@@H]2[C@H]3CCCC(=O)[C@@H]3CC[C@@H]12
InChIInChI=1S/C14H20O2/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h9-12H,1-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyCOEJRKXTVJQPSA-DDHJBXDOSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione with MolForge

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Related Compounds

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CID 102156488
16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
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(4aS,4bS,8aR,8bR)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 100937087
(4aR,4bR,8aS,8bS)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 98159453
1-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinolin-5-one
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CID 59108062
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
2-[(1R,2S)-2-methoxycyclohexyl]cyclohexan-1-one
CID 101057630
3,4,4a,4b,5,6,7,8,8a,8b-decahydro-2H-biphenylen-1-one
CID 130029702
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
(8R,9S,10R,13R,14S)-13-methyl-2,3,5,6,7,8,9,10,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4-one
CID 151935010

Frequently Asked Questions

What is the IUPAC name of (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione?
The IUPAC name of (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione (CID 102156481) is (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione.
What is the SMILES notation for (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione?
The canonical SMILES for (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione is O=C1CCC[C@@H]2[C@H]3CCCC(=O)[C@@H]3CC[C@@H]12.
What is the InChIKey of (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione?
The InChIKey is COEJRKXTVJQPSA-DDHJBXDOSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h9-12H,1-8H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione?
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione has a molecular weight of 220.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione is sourced from PubChem (CID 102156481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).