[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

C22H36OSi — CID 6427799

IUPAC[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
SMILESC[C@@]12C=CCC1C1CC[C@H]3CC(O[Si](C)(C)C)=CC[C@]3(C)C1CC2
InChIInChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,10,12,16,18-20H,7-9,11,13-15H2,1-5H3/t16-,18?,19?,20?,21-,22-/m0/s1
InChIKeyPGFCKMIUNGHURL-ZRYHAWIOSA-N
MW344.62 g/mol
LogP6.54
Rot. Bonds2

About [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane

[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (PubChem CID 6427799) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
PubChem CID6427799
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Name[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane
SMILESC[C@@]12C=CCC1C1CC[C@H]3CC(O[Si](C)(C)C)=CC[C@]3(C)C1CC2
InChIInChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,10,12,16,18-20H,7-9,11,13-15H2,1-5H3/t16-,18?,19?,20?,21-,22-/m0/s1
InChIKeyPGFCKMIUNGHURL-ZRYHAWIOSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane with MolForge

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Related Compounds

Dehydroepiandrosterone, o,o'-bis(trimethylsilyl)-
CID 553969
bis-TMS-derivatised 5alpha-androstane-3,17-dione
CID 588727
5alpha-Androstan-3,17-dione, 3,17-bis(trimethylsilyl) enol ether
CID 6421188
19-norandrosterone-diOTMS
CID 6426538
5-Androsten-3beta-ol-17-one, TMS
CID 13635798
Silane, [[(3alpha,5alpha)-androst-16-ene-3,17-diyl]bis(oxy)]bis[trimethyl-
CID 14299559
Silane, [[(3alpha,5beta)-androst-16-ene-3,17-diyl]bis(oxy)]bis[trimethyl-
CID 14299560
Drostanolone metabolite, di-trimethylsilyl
CID 14863121
Boldione, di-trimethylsilyl
CID 91696786
Mesterolone metabolite 2, di-trimethylsilyl
CID 91697064
5alpha-Androst-16-en-3beta-ol trimethylsilyl ether
CID 91697345
Androst-5-ene-3beta,17beta-diol-16-one, TMS
CID 91748066

Frequently Asked Questions

What is the IUPAC name of [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?
The IUPAC name of [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane (CID 6427799) is [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is C[C@@]12C=CCC1C1CC[C@H]3CC(O[Si](C)(C)C)=CC[C@]3(C)C1CC2.
What is the InChIKey of [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?
The InChIKey is PGFCKMIUNGHURL-ZRYHAWIOSA-N. The full InChI is InChI=1S/C22H36OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,10,12,16,18-20H,7-9,11,13-15H2,1-5H3/t16-,18?,19?,20?,21-,22-/m0/s1.
What are the key properties of [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane?
[(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,10S,13R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 6427799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).