CID 57413325

C17H21O — CID 57413325

IUPAC—
SMILESC[C@]12CC[C@@H]3[C]4[CH][CH][CH][C]4CC[C@H]3[C@@H]1CCC2=O
InChIInChI=1S/C17H21O/c1-17-10-9-13-12-4-2-3-11(12)5-6-14(13)15(17)7-8-16(17)18/h2-4,13-15H,5-10H2,1H3/t13-,14-,15+,17+/m1/s1
InChIKeyZEQQYCDMBWMUGW-AIANPOQGSA-N
MW241.35 g/mol
LogP3.57
Rot. Bonds

About CID 57413325

CID 57413325 (PubChem CID 57413325) has the molecular formula C17H21O and a molecular weight of 241.35 g/mol.

Molecular Properties

Compound NameCID 57413325
PubChem CID57413325
Molecular FormulaC17H21O
Molecular Weight241.35 g/mol
Exact Mass241.16
IUPAC Name—
SMILESC[C@]12CC[C@@H]3[C]4[CH][CH][CH][C]4CC[C@H]3[C@@H]1CCC2=O
InChIInChI=1S/C17H21O/c1-17-10-9-13-12-4-2-3-11(12)5-6-14(13)15(17)7-8-16(17)18/h2-4,13-15H,5-10H2,1H3/t13-,14-,15+,17+/m1/s1
InChIKeyZEQQYCDMBWMUGW-AIANPOQGSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(rhodium);(13S)-2,3,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-4-id-17-one
CID 59985754
(8R,9S,13S,14S)-1-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-trione
CID 22211774
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl](211At)astatine-211
CID 166025844
(8R,9S,13S,14S)-13-methyl-2,3-bis(trimethylsilyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22809806
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
(8R,9S,13S,14S)-3-hydroxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-one
CID 54201892
(2S,5S,9S,10R)-15-methoxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),13,15-trien-6-one
CID 11954105
sodium;hydride;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 173174187
(8R,9S,13S,14S)-2-chloro-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 154246822
CID 58356492
CID 58356492
(8R,9S,13S,14S)-2-dimethylarsanyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 87793404
(8R,9S,13S,14S)-3-(dideuteriomethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 166444892

Frequently Asked Questions

What is the IUPAC name of CID 57413325?
The IUPAC name of CID 57413325 (CID 57413325) is not available.
What is the SMILES notation for CID 57413325?
The canonical SMILES for CID 57413325 is C[C@]12CC[C@@H]3[C]4[CH][CH][CH][C]4CC[C@H]3[C@@H]1CCC2=O.
What is the InChIKey of CID 57413325?
The InChIKey is ZEQQYCDMBWMUGW-AIANPOQGSA-N. The full InChI is InChI=1S/C17H21O/c1-17-10-9-13-12-4-2-3-11(12)5-6-14(13)15(17)7-8-16(17)18/h2-4,13-15H,5-10H2,1H3/t13-,14-,15+,17+/m1/s1.
What are the key properties of CID 57413325?
CID 57413325 has a molecular weight of 241.35 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57413325 is sourced from PubChem (CID 57413325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).