CID 69334403

C24H36NO2Si — CID 69334403

IUPAC—
SMILESC[Si](C)Oc1c(N)c(C(C)(C)C)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H36NO2Si/c1-23(2,3)18-13-14-7-8-15-16(20(14)22(21(18)25)27-28(5)6)11-12-24(4)17(15)9-10-19(24)26/h13,15-17H,7-12,25H2,1-6H3/t15-,16+,17+,24+/m1/s1
InChIKeyNUUQBRMAFZZTLN-WDGNKJTDSA-N
MW398.64 g/mol
LogP5.62
Rot. Bonds2

About CID 69334403

CID 69334403 (PubChem CID 69334403) has the molecular formula C24H36NO2Si and a molecular weight of 398.64 g/mol.

Molecular Properties

Compound NameCID 69334403
PubChem CID69334403
Molecular FormulaC24H36NO2Si
Molecular Weight398.64 g/mol
Exact Mass398.25
IUPAC Name—
SMILESC[Si](C)Oc1c(N)c(C(C)(C)C)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H36NO2Si/c1-23(2,3)18-13-14-7-8-15-16(20(14)22(21(18)25)27-28(5)6)11-12-24(4)17(15)9-10-19(24)26/h13,15-17H,7-12,25H2,1-6H3/t15-,16+,17+,24+/m1/s1
InChIKeyNUUQBRMAFZZTLN-WDGNKJTDSA-N
XLogP5.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 67111520
CID 67111520
3-methoxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 626871
(8R,9S,13S,14S)-1,13-dimethyl-3-trimethylsilyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22296484
(8R,9S,13S,14S)-1,3-diethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22803858
[(8R,9S,13S,14S)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] hydrogen sulfate
CID 70614584
(8R,9S,13S,14S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 10250343
(13S)-2-(1-adamantyl)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;(8R,9S,13S,14S)-2-tert-butyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 157490712
[(8S,9S,13S,14S)-13-methyl-1-(4-methylphenyl)sulfonyloxy-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
CID 88845956
CID 69334412
CID 69334412
(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
[(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
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135

Frequently Asked Questions

What is the IUPAC name of CID 69334403?
The IUPAC name of CID 69334403 (CID 69334403) is not available.
What is the SMILES notation for CID 69334403?
The canonical SMILES for CID 69334403 is C[Si](C)Oc1c(N)c(C(C)(C)C)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2.
What is the InChIKey of CID 69334403?
The InChIKey is NUUQBRMAFZZTLN-WDGNKJTDSA-N. The full InChI is InChI=1S/C24H36NO2Si/c1-23(2,3)18-13-14-7-8-15-16(20(14)22(21(18)25)27-28(5)6)11-12-24(4)17(15)9-10-19(24)26/h13,15-17H,7-12,25H2,1-6H3/t15-,16+,17+,24+/m1/s1.
What are the key properties of CID 69334403?
CID 69334403 has a molecular weight of 398.64 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69334403 is sourced from PubChem (CID 69334403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).