[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

C32H61FO4Si4 — CID 6430092

IUPAC[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12C[C@H](O[Si](C)(C)C)[C@@]3(F)C(CC(O[Si](C)(C)C)=C4C=C(O[Si](C)(C)C)CCC43C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C32H61FO4Si4/c1-29-18-16-23(34-38(4,5)6)20-26(29)27(35-39(7,8)9)21-25-24-17-19-31(3,37-41(13,14)15)30(24,2)22-28(32(25,29)33)36-40(10,11)12/h20,24-25,28H,16-19,21-22H2,1-15H3/t24?,25?,28-,29?,30?,31-,32-/m0/s1
InChIKeyPDSJFWRYSJSVQU-QCCHXHMNSA-N
MW641.18 g/mol
LogP10.01
Rot. Bonds8

About [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane

[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (PubChem CID 6430092) has the molecular formula C32H61FO4Si4 and a molecular weight of 641.18 g/mol. Its IUPAC name is [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
PubChem CID6430092
Molecular FormulaC32H61FO4Si4
Molecular Weight641.18 g/mol
Exact Mass640.36
IUPAC Name[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
SMILESCC12C[C@H](O[Si](C)(C)C)[C@@]3(F)C(CC(O[Si](C)(C)C)=C4C=C(O[Si](C)(C)C)CCC43C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C32H61FO4Si4/c1-29-18-16-23(34-38(4,5)6)20-26(29)27(35-39(7,8)9)21-25-24-17-19-31(3,37-41(13,14)15)30(24,2)22-28(32(25,29)33)36-40(10,11)12/h20,24-25,28H,16-19,21-22H2,1-15H3/t24?,25?,28-,29?,30?,31-,32-/m0/s1
InChIKeyPDSJFWRYSJSVQU-QCCHXHMNSA-N
XLogP10.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.18
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane with MolForge

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Related Compounds

[(9R,17S)-9-fluoro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 91753560
9-fluoro-10,13,17-trimethyl-11,17-bis(trimethylsilyloxy)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 78409523
(9R,17R)-9-fluoro-11-hydroxy-10,13,17-trimethyl-17-trimethylsilyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 6429868
(9R,17S)-9-fluoro-11-hydroxy-10,13,17-trimethyl-17-trimethylsilyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CID 6429900
trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 24893354
trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 6429863
(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-N-methoxy-17-[N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-imine
CID 91752471
[(10R,11R,13S,17S)-4-chloro-10,13,17-trimethyl-3,11-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 91748455
(9R,16R,17R)-17-[1,2-bis(trimethylsilyloxy)ethyl]-9-fluoro-N-methoxy-10,13,16-trimethyl-11,17-bis(trimethylsilyloxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-imine
CID 91750443
trimethyl-[[(3S,5R,10R,13S,17R)-10,13,17-trimethyl-3-trimethylsilyloxy-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 91748442
trimethyl-[[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 22214247
trimethyl-[(2,10,13-trimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
CID 91745450

Frequently Asked Questions

What is the IUPAC name of [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The IUPAC name of [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane (CID 6430092) is [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane.
What is the SMILES notation for [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The canonical SMILES for [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is CC12C[C@H](O[Si](C)(C)C)[C@@]3(F)C(CC(O[Si](C)(C)C)=C4C=C(O[Si](C)(C)C)CCC43C)C1CC[C@]2(C)O[Si](C)(C)C.
What is the InChIKey of [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
The InChIKey is PDSJFWRYSJSVQU-QCCHXHMNSA-N. The full InChI is InChI=1S/C32H61FO4Si4/c1-29-18-16-23(34-38(4,5)6)20-26(29)27(35-39(7,8)9)21-25-24-17-19-31(3,37-41(13,14)15)30(24,2)22-28(32(25,29)33)36-40(10,11)12/h20,24-25,28H,16-19,21-22H2,1-15H3/t24?,25?,28-,29?,30?,31-,32-/m0/s1.
What are the key properties of [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane?
[(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane has a molecular weight of 641.18 g/mol, XLogP of 10.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R,11S,17S)-9-fluoro-10,13,17-trimethyl-3,6,11-tris(trimethylsilyloxy)-2,7,8,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane is sourced from PubChem (CID 6430092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).