CID 69334412

C24H34NO2Si — CID 69334412

IUPAC—
SMILESCC(C)(C)c1cc2c(cc1N)[C@H]1CC[C@]3(C(C)(C)O[Si])C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H34NO2Si/c1-22(2,3)19-12-14-6-7-16-15(17(14)13-20(19)25)10-11-24(23(4,5)27-28)18(16)8-9-21(24)26/h12-13,15-16,18H,6-11,25H2,1-5H3/t15-,16+,18-,24+/m0/s1
InChIKeyKIUMUDVYOAIRTG-ANXRINLSSA-N
MW396.63 g/mol
LogP4.85
Rot. Bonds2

About CID 69334412

CID 69334412 (PubChem CID 69334412) has the molecular formula C24H34NO2Si and a molecular weight of 396.63 g/mol.

Molecular Properties

Compound NameCID 69334412
PubChem CID69334412
Molecular FormulaC24H34NO2Si
Molecular Weight396.63 g/mol
Exact Mass396.24
IUPAC Name—
SMILESCC(C)(C)c1cc2c(cc1N)[C@H]1CC[C@]3(C(C)(C)O[Si])C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H34NO2Si/c1-22(2,3)19-12-14-6-7-16-15(17(14)13-20(19)25)10-11-24(23(4,5)27-28)18(16)8-9-21(24)26/h12-13,15-16,18H,6-11,25H2,1-5H3/t15-,16+,18-,24+/m0/s1
InChIKeyKIUMUDVYOAIRTG-ANXRINLSSA-N
XLogP4.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.63
LogP ≤ 54.85
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

(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
CID 69334403
CID 69334403
(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
[(13S)-2-ethoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate
CID 16754550
13-methyl-3-(trifluoromethoxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 77305133
(8S,9R,13S,14S)-3-methoxy-2,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 124837092
(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)-2-iodo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] nitrite
CID 54229094
18-methyl-7-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-2(10),3,5,8-tetraen-17-one
CID 11185480
(8R,9S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 138394878
(8S,9S,13S,14R)-3-ethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 51676413
(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

Frequently Asked Questions

What is the IUPAC name of CID 69334412?
The IUPAC name of CID 69334412 (CID 69334412) is not available.
What is the SMILES notation for CID 69334412?
The canonical SMILES for CID 69334412 is CC(C)(C)c1cc2c(cc1N)[C@H]1CC[C@]3(C(C)(C)O[Si])C(=O)CC[C@H]3[C@@H]1CC2.
What is the InChIKey of CID 69334412?
The InChIKey is KIUMUDVYOAIRTG-ANXRINLSSA-N. The full InChI is InChI=1S/C24H34NO2Si/c1-22(2,3)19-12-14-6-7-16-15(17(14)13-20(19)25)10-11-24(23(4,5)27-28)18(16)8-9-21(24)26/h12-13,15-16,18H,6-11,25H2,1-5H3/t15-,16+,18-,24+/m0/s1.
What are the key properties of CID 69334412?
CID 69334412 has a molecular weight of 396.63 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69334412 is sourced from PubChem (CID 69334412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).