CID 59761024

C21H31O2Si — CID 59761024

IUPAC—
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O[Si])CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H31O2Si/c1-13(22)17-6-7-18-16-5-4-14-12-15(23-24)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyCGBVMHMGZZYPSJ-OZIWPBGVSA-N
MW343.56 g/mol
LogP4.62
Rot. Bonds2

About CID 59761024

CID 59761024 (PubChem CID 59761024) has the molecular formula C21H31O2Si and a molecular weight of 343.56 g/mol.

Molecular Properties

Compound NameCID 59761024
PubChem CID59761024
Molecular FormulaC21H31O2Si
Molecular Weight343.56 g/mol
Exact Mass343.21
IUPAC Name—
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O[Si])CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C21H31O2Si/c1-13(22)17-6-7-18-16-5-4-14-12-15(23-24)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyCGBVMHMGZZYPSJ-OZIWPBGVSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) oxalate
CID 53468674
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphite
CID 23629617
1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-trimethylsilyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 11036531
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] prop-2-enoate
CID 11187844
[(3R,8R,9R,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CID 10668470
1-[(3S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 148819576
1-[(10R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 148819580
1-[(3R,8R,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 10686918
1-[(3R,8R,9S,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 162915821
1-[(3R,8R,9R,10R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 124914869
actinium;1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
CID 20593833
1-[(3S,8S,9S,10R,13S,14R,17R)-3-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 162958158

Frequently Asked Questions

What is the IUPAC name of CID 59761024?
The IUPAC name of CID 59761024 (CID 59761024) is not available.
What is the SMILES notation for CID 59761024?
The canonical SMILES for CID 59761024 is CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O[Si])CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of CID 59761024?
The InChIKey is CGBVMHMGZZYPSJ-OZIWPBGVSA-N. The full InChI is InChI=1S/C21H31O2Si/c1-13(22)17-6-7-18-16-5-4-14-12-15(23-24)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1.
What are the key properties of CID 59761024?
CID 59761024 has a molecular weight of 343.56 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59761024 is sourced from PubChem (CID 59761024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).