CID 67111520

C24H35O2Si — CID 67111520

IUPAC—
SMILESC[Si](C)Oc1cc(C(C)(C)C)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H35O2Si/c1-23(2,3)16-13-15-7-8-17-18(22(15)20(14-16)26-27(5)6)11-12-24(4)19(17)9-10-21(24)25/h13-14,17-19H,7-12H2,1-6H3/t17-,18+,19+,24+/m1/s1
InChIKeyYUGDVQNFJLDOIY-RAZUEPIFSA-N
MW383.63 g/mol
LogP6.04
Rot. Bonds2

About CID 67111520

CID 67111520 (PubChem CID 67111520) has the molecular formula C24H35O2Si and a molecular weight of 383.63 g/mol.

Molecular Properties

Compound NameCID 67111520
PubChem CID67111520
Molecular FormulaC24H35O2Si
Molecular Weight383.63 g/mol
Exact Mass383.24
IUPAC Name—
SMILESC[Si](C)Oc1cc(C(C)(C)C)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2
InChIInChI=1S/C24H35O2Si/c1-23(2,3)16-13-15-7-8-17-18(22(15)20(14-16)26-27(5)6)11-12-24(4)19(17)9-10-21(24)25/h13-14,17-19H,7-12H2,1-6H3/t17-,18+,19+,24+/m1/s1
InChIKeyYUGDVQNFJLDOIY-RAZUEPIFSA-N
XLogP6.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.63
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 69334403
CID 69334403
(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
3-methoxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 626871
[(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
(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
(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,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 138394878
[(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
(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
[(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 67111520?
The IUPAC name of CID 67111520 (CID 67111520) is not available.
What is the SMILES notation for CID 67111520?
The canonical SMILES for CID 67111520 is C[Si](C)Oc1cc(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 67111520?
The InChIKey is YUGDVQNFJLDOIY-RAZUEPIFSA-N. The full InChI is InChI=1S/C24H35O2Si/c1-23(2,3)16-13-15-7-8-17-18(22(15)20(14-16)26-27(5)6)11-12-24(4)19(17)9-10-21(24)25/h13-14,17-19H,7-12H2,1-6H3/t17-,18+,19+,24+/m1/s1.
What are the key properties of CID 67111520?
CID 67111520 has a molecular weight of 383.63 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67111520 is sourced from PubChem (CID 67111520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).