(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one

C15H22O — CID 134905384

IUPAC(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one
SMILESC[C@@]12CCCC[C@H]1[C@@H]1CCC(=O)C=C1CC2
InChIInChI=1S/C15H22O/c1-15-8-3-2-4-14(15)13-6-5-12(16)10-11(13)7-9-15/h10,13-14H,2-9H2,1H3/t13-,14+,15+/m1/s1
InChIKeyNDVXMUYYZZURPH-ILXRZTDVSA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds

About (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one

(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one (PubChem CID 134905384) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one.

Molecular Properties

Compound Name(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one
PubChem CID134905384
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one
SMILESC[C@@]12CCCC[C@H]1[C@@H]1CCC(=O)C=C1CC2
InChIInChI=1S/C15H22O/c1-15-8-3-2-4-14(15)13-6-5-12(16)10-11(13)7-9-15/h10,13-14H,2-9H2,1H3/t13-,14+,15+/m1/s1
InChIKeyNDVXMUYYZZURPH-ILXRZTDVSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one with MolForge

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Related Compounds

(8S,10S,13S,14S)-13-methyl-2,6,7,8,10,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 140967309
(3aS,9aS,9bS)-3a-ethyl-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione
CID 10443950
(7R,8R,9S,10R,13S,14S)-13-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 162045536
(8R,9S,10R,13S,14S)-13-methyl-6-methylidene-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 149159056
(1aR,6aR)-1,1-dimethyl-1a,1b,2,3,6,6a-hexahydrocyclopropa[a]inden-4-one
CID 130297517
(4aS,8aS)-1-chloro-4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 130762291
13-methyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,16-dione
CID 162978922
(8R,9R,10R,13S,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 6545378
(8S,9R,10S,13R,14R)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 7213685
(5R)-11-methyl-6-oxapentacyclo[12.8.0.02,11.03,5.015,20]docos-19-en-18-one
CID 70995954
(10R,13S,17Z)-17-ethylidene-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 59958333
(10R,13S)-13-methyl-17-methylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CID 54181393

Frequently Asked Questions

What is the IUPAC name of (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one?
The IUPAC name of (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one (CID 134905384) is (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one.
What is the SMILES notation for (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one?
The canonical SMILES for (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one is C[C@@]12CCCC[C@H]1[C@@H]1CCC(=O)C=C1CC2.
What is the InChIKey of (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one?
The InChIKey is NDVXMUYYZZURPH-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H22O/c1-15-8-3-2-4-14(15)13-6-5-12(16)10-11(13)7-9-15/h10,13-14H,2-9H2,1H3/t13-,14+,15+/m1/s1.
What are the key properties of (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one?
(4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one has a molecular weight of 218.34 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bS,8aS)-8a-methyl-3,4,4a,4b,5,6,7,8,9,10-decahydrophenanthren-2-one is sourced from PubChem (CID 134905384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).