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

C30H56O4Si4 — CID 526037

IUPACtrimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESCC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C
InChIInChI=1S/C30H56O4Si4/c1-30-19-18-24-23-17-15-22(31-35(2,3)4)20-21(23)14-16-25(24)26(30)27(32-36(5,6)7)28(33-37(8,9)10)29(30)34-38(11,12)13/h15,17,20,24-29H,14,16,18-19H2,1-13H3
InChIKeyRSQDODOMVGFYEA-UHFFFAOYSA-N
MW593.12 g/mol
LogP8.64
Rot. Bonds8

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

trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (PubChem CID 526037) has the molecular formula C30H56O4Si4 and a molecular weight of 593.12 g/mol. Its IUPAC name is trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
PubChem CID526037
Molecular FormulaC30H56O4Si4
Molecular Weight593.12 g/mol
Exact Mass592.33
IUPAC Nametrimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
SMILESCC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C
InChIInChI=1S/C30H56O4Si4/c1-30-19-18-24-23-17-15-22(31-35(2,3)4)20-21(23)14-16-25(24)26(30)27(32-36(5,6)7)28(33-37(8,9)10)29(30)34-38(11,12)13/h15,17,20,24-29H,14,16,18-19H2,1-13H3
InChIKeyRSQDODOMVGFYEA-UHFFFAOYSA-N
XLogP8.64
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 ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[[13-methyl-3,15,16-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-[[(16S,17S)-13-methyl-3,16-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 91746651
trimethyl-[[(8R,9S,13S,14S,15R,17S)-13-methyl-3,15-bis(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 101281731
(8R,9S,13S,14S,15R)-13-methyl-3,15-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 22296876
trimethyl-[[(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
CID 22296261
(Z,8R,9S,13S,14S,17S)-N-methoxy-13-methyl-3,17-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-imine
CID 101281752
(E,8R,9S,13S,14S,17R)-N-methoxy-13-methyl-3,17-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-imine
CID 177437355
[(8R,9S,13S,14S)-3-acetyloxy-13-methyl-15-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 22296768
(3R)-14-methoxy-7-methylpentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),12,14-trien-6-ol
CID 70991557
(1R,2R,3R,5R,6R,7S,10S)-14-methoxy-7-methylpentacyclo[8.8.0.02,7.03,5.011,16]octadeca-11(16),12,14-trien-6-ol
CID 14339044
13-methyl-3,12-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 634458
(Z,8R,9S,13S,14S,17R)-N,3-dimethoxy-13-methyl-17-trimethylsilyloxy-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-imine
CID 101281749
(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 22796837

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The IUPAC name of trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane (CID 526037) is trimethyl-[[13-methyl-3,15,16-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-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The canonical SMILES for trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
The InChIKey is RSQDODOMVGFYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O4Si4/c1-30-19-18-24-23-17-15-22(31-35(2,3)4)20-21(23)14-16-25(24)26(30)27(32-36(5,6)7)28(33-37(8,9)10)29(30)34-38(11,12)13/h15,17,20,24-29H,14,16,18-19H2,1-13H3.
What are the key properties of trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane?
trimethyl-[[13-methyl-3,15,16-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 8.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[13-methyl-3,15,16-tris(trimethylsilyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane is sourced from PubChem (CID 526037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).