trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

C30H56O4Si4 — CID 101280455

IUPACtrimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESC[C@]12CC[C@@H]3c4cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c4CC[C@H]3[C@@H]1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C30H56O4Si4/c1-30-19-18-21-22(25(30)16-17-27(30)32-36(5,6)7)14-15-23-24(21)20-26(31-35(2,3)4)29(34-38(11,12)13)28(23)33-37(8,9)10/h20-22,25,27H,14-19H2,1-13H3/t21-,22+,25-,27-,30-/m0/s1
InChIKeyUWDHNDWYRXTKRZ-VCUCZGFVSA-N
MW593.12 g/mol
LogP9.40
Rot. Bonds8

About trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane

trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 101280455) has the molecular formula C30H56O4Si4 and a molecular weight of 593.12 g/mol. Its IUPAC name is trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
PubChem CID101280455
Molecular FormulaC30H56O4Si4
Molecular Weight593.12 g/mol
Exact Mass592.33
IUPAC Nametrimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESC[C@]12CC[C@@H]3c4cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c4CC[C@H]3[C@@H]1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C30H56O4Si4/c1-30-19-18-21-22(25(30)16-17-27(30)32-36(5,6)7)14-15-23-24(21)20-26(31-35(2,3)4)29(34-38(11,12)13)28(23)33-37(8,9)10/h20-22,25,27H,14-19H2,1-13H3/t21-,22+,25-,27-,30-/m0/s1
InChIKeyUWDHNDWYRXTKRZ-VCUCZGFVSA-N
XLogP9.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.12
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane with MolForge

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Related Compounds

trimethyl-[[13-methyl-3,6-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 552535
13-methyl-3,4-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 634767
(8R,9S,13S,14S,16R,17R)-13-methyl-3,16,17-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-amine
CID 22297087
1-[(13S,17S)-3,17-bis[[tert-butyl(dimethyl)silyl]oxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone
CID 10030264
13-methyl-17-trimethylsilyloxy-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 582419
4,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid
CID 3083263
(4R,7S,8S,11S,12R,20R,21S,24S,25S,28R)-7,25-dimethyl-8,24-bis[(2-methylpropan-2-yl)oxy]heptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(17),2,15-triene
CID 101175565
[(8R,9S,13S,14S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy-tri(propan-2-yl)silane
CID 53379309
[(8R,9S,13S,14S,17S)-3-hydroxy-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 10315484
(8S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 125038616
(8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 125038614
(8S,9R,13R,14R,17R)-2,3-dimethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 133126652

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The IUPAC name of trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 101280455) is trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is C[C@]12CC[C@@H]3c4cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c4CC[C@H]3[C@@H]1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The InChIKey is UWDHNDWYRXTKRZ-VCUCZGFVSA-N. The full InChI is InChI=1S/C30H56O4Si4/c1-30-19-18-21-22(25(30)16-17-27(30)32-36(5,6)7)14-15-23-24(21)20-26(31-35(2,3)4)29(34-38(11,12)13)28(23)33-37(8,9)10/h20-22,25,27H,14-19H2,1-13H3/t21-,22+,25-,27-,30-/m0/s1.
What are the key properties of trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane has a molecular weight of 593.12 g/mol, XLogP of 9.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(8R,9S,13S,14S,17S)-13-methyl-2,3,4-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 101280455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).