tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane

C29H52OSi — CID 68519060

IUPACtert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
SMILESCCC/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C29H52OSi/c1-9-10-11-21-13-15-25-24-14-12-22-20-23(30-31(7,8)27(2,3)4)16-18-29(22,6)26(24)17-19-28(21,25)5/h11,22-26H,9-10,12-20H2,1-8H3/b21-11-/t22-,23+,24-,25-,26-,28+,29-/m0/s1
InChIKeyKGNHXCWGQUPQCW-KOZGRWHHSA-N
MW444.82 g/mol
LogP9.15
Rot. Bonds4

About tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane

tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane (PubChem CID 68519060) has the molecular formula C29H52OSi and a molecular weight of 444.82 g/mol. Its IUPAC name is tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
PubChem CID68519060
Molecular FormulaC29H52OSi
Molecular Weight444.82 g/mol
Exact Mass444.38
IUPAC Nametert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
SMILESCCC/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C29H52OSi/c1-9-10-11-21-13-15-25-24-14-12-22-20-23(30-31(7,8)27(2,3)4)16-18-29(22,6)26(24)17-19-28(21,25)5/h11,22-26H,9-10,12-20H2,1-8H3/b21-11-/t22-,23+,24-,25-,26-,28+,29-/m0/s1
InChIKeyKGNHXCWGQUPQCW-KOZGRWHHSA-N
XLogP9.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.82
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 524932
[(3S,5S,9S,10S,13S,14S)-17-bromo-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tert-butyl-dimethylsilane
CID 138453850
(3S,10S,13S,17E)-17-dodecylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 59822078
(3S,5S,8R,9S,10S,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-16-methylidene-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 53305182
(3R,5S,8R,9S,10S,13S,14S)-3-[dimethyl(propyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 22295559
2-[[(5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]ethanol
CID 174093527
(3R,5R,8R,9S,10S,13S,14S,17Z)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 68519788
(3R,5S,8R,9S,10S,13S,14S,17Z)-10,13-dimethyl-17-propylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 68514877
[(3R,5R,8R,9S,10S,13S,14S,17E)-17-(2-bromoethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 99574400
[(3S,5S,8R,9S,10S,13S,14S,17E)-17-(2-bromoethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 99602062
[(3R,5S,8R,9S,10S,13S,14S,17E)-17-(2-bromoethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 99602059
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane (CID 68519060) is tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane is CCC/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?
The InChIKey is KGNHXCWGQUPQCW-KOZGRWHHSA-N. The full InChI is InChI=1S/C29H52OSi/c1-9-10-11-21-13-15-25-24-14-12-22-20-23(30-31(7,8)27(2,3)4)16-18-29(22,6)26(24)17-19-28(21,25)5/h11,22-26H,9-10,12-20H2,1-8H3/b21-11-/t22-,23+,24-,25-,26-,28+,29-/m0/s1.
What are the key properties of tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane has a molecular weight of 444.82 g/mol, XLogP of 9.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,5S,8R,9S,10S,13S,14S,17Z)-17-butylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 68519060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).