tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane

C32H60OSi — CID 167569607

IUPACtert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane
SMILESCC[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CC[C@H]4C[C@@H](C)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C32H60OSi/c1-10-24(12-11-21-33-34(8,9)30(3,4)5)27-15-16-28-26-14-13-25-22-23(2)17-19-31(25,6)29(26)18-20-32(27,28)7/h23-29H,10-22H2,1-9H3/t23-,24+,25-,26?,27+,28?,29?,31-,32+/m0/s1
InChIKeyKOJDDWKBNJYRIN-LQKDWNQCSA-N
MW488.92 g/mol
LogP10.11
Rot. Bonds7

About tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane

tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane (PubChem CID 167569607) has the molecular formula C32H60OSi and a molecular weight of 488.92 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane
PubChem CID167569607
Molecular FormulaC32H60OSi
Molecular Weight488.92 g/mol
Exact Mass488.44
IUPAC Nametert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane
SMILESCC[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CC[C@H]4C[C@@H](C)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C32H60OSi/c1-10-24(12-11-21-33-34(8,9)30(3,4)5)27-15-16-28-26-14-13-25-22-23(2)17-19-31(25,6)29(26)18-20-32(27,28)7/h23-29H,10-22H2,1-9H3/t23-,24+,25-,26?,27+,28?,29?,31-,32+/m0/s1
InChIKeyKOJDDWKBNJYRIN-LQKDWNQCSA-N
XLogP10.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.92
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane with MolForge

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Related Compounds

tert-butyl-[(9R)-9-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methyldecoxy]-dimethylsilane
CID 67788441
(3S,5S,9S,13R,14S,17R)-3-ethyl-17-[(3R)-7-hydroxy-7-methyloctan-3-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 167490506
methyl (8R,9S,10S,13S,14S,17R)-17-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 67926893
tert-butyl-[[(3S,10S,13R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 135018535
(3S,4R,5R,8S,9S,10R,13R,14S,17R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol
CID 176656826
(8S,9R,10S,13R,14S,17S)-17-ethyl-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 173313669
4-[(3R,5R,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CID 126492933
4-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
CID 20683777
methanol;3-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid
CID 145166576
3-tert-butyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 76670874
(1R,10aS,12aR)-8,10a,12a-trimethyl-1-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysene
CID 59912948
[(4S)-6-hydroxy-4-[(3S,5S,10S,13R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexyl] hydrogen sulfate
CID 166497948

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane (CID 167569607) is tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane is CC[C@H](CCCO[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CC[C@H]4C[C@@H](C)CC[C@]4(C)C3CC[C@@]21C.
What is the InChIKey of tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane?
The InChIKey is KOJDDWKBNJYRIN-LQKDWNQCSA-N. The full InChI is InChI=1S/C32H60OSi/c1-10-24(12-11-21-33-34(8,9)30(3,4)5)27-15-16-28-26-14-13-25-22-23(2)17-19-31(25,6)29(26)18-20-32(27,28)7/h23-29H,10-22H2,1-9H3/t23-,24+,25-,26?,27+,28?,29?,31-,32+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane?
tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane has a molecular weight of 488.92 g/mol, XLogP of 10.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R)-4-[(3S,5S,10S,13R,17R)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexoxy]silane is sourced from PubChem (CID 167569607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).