[(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

C33H61ClO4Si4 — CID 91748455

IUPAC[(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
SMILESC[C@]12C=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(Cl)C1=CCC1C2C(O[Si](C)(C)C)C[C@@]2(C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C33H61ClO4Si4/c1-31-20-23(22-35-39(4,5)6)30(37-41(10,11)12)29(34)26(31)17-16-24-25-18-19-33(3,38-42(13,14)15)32(25,2)21-27(28(24)31)36-40(7,8)9/h17,20,24-25,27-28H,16,18-19,21-22H2,1-15H3/t24?,25?,27?,28?,31-,32-,33-/m0/s1
InChIKeyZWXLHKJPWDCPNC-ZCSLVEQQSA-N
MW669.64 g/mol
LogP10.30
Rot. Bonds9

About [(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

[(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 (PubChem CID 91748455) has the molecular formula C33H61ClO4Si4 and a molecular weight of 669.64 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID91748455
Molecular FormulaC33H61ClO4Si4
Molecular Weight669.64 g/mol
Exact Mass668.33
IUPAC Name[(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
SMILESC[C@]12C=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(Cl)C1=CCC1C2C(O[Si](C)(C)C)C[C@@]2(C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C33H61ClO4Si4/c1-31-20-23(22-35-39(4,5)6)30(37-41(10,11)12)29(34)26(31)17-16-24-25-18-19-33(3,38-42(13,14)15)32(25,2)21-27(28(24)31)36-40(7,8)9/h17,20,24-25,27-28H,16,18-19,21-22H2,1-15H3/t24?,25?,27?,28?,31-,32-,33-/m0/s1
InChIKeyZWXLHKJPWDCPNC-ZCSLVEQQSA-N
XLogP10.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.64
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

1-[(10R,13S,17R)-10,13-dimethyl-3,11,17-tris(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-trimethylsilyloxyethanone
CID 91752474
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
[(3S,8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-17-[(1S)-1-trimethylsilyloxyethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 22214180
trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 91752320
[(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
1-[(3S,13S,15R)-10,13-dimethyl-3,15,17-tris(trimethylsilyloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxyethanimine
CID 91752019
(Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine
CID 20845434
[(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
(2E)-2-methoxyimino-2-[(3Z,8S,9S,10R,11S,13S,14S,17R)-3-methoxyimino-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 20845352
(10R,13S)-10,13-dimethyl-11-phenylmethoxyspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 54042297
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
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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@]12C=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)=C(Cl)C1=CCC1C2C(O[Si](C)(C)C)C[C@@]2(C)C1CC[C@]2(C)O[Si](C)(C)C.
What is the InChIKey of [(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?
The InChIKey is ZWXLHKJPWDCPNC-ZCSLVEQQSA-N. The full InChI is InChI=1S/C33H61ClO4Si4/c1-31-20-23(22-35-39(4,5)6)30(37-41(10,11)12)29(34)26(31)17-16-24-25-18-19-33(3,38-42(13,14)15)32(25,2)21-27(28(24)31)36-40(7,8)9/h17,20,24-25,27-28H,16,18-19,21-22H2,1-15H3/t24?,25?,27?,28?,31-,32-,33-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 669.64 g/mol, XLogP of 10.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 91748455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).