trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

C33H60OSi — CID 91753889

IUPACtrimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]12C
InChIInChI=1S/C33H60OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,23-26,28-29H,12-14,16-22H2,1-11H3/t24-,25+,26?,28?,29+,31-,32+,33-/m1/s1
InChIKeyGAQWPEXNMKMRPW-HTUCOHATSA-N
MW500.93 g/mol
LogP10.27
Rot. Bonds7

About trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane

trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (PubChem CID 91753889) has the molecular formula C33H60OSi and a molecular weight of 500.93 g/mol. Its IUPAC name is trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
PubChem CID91753889
Molecular FormulaC33H60OSi
Molecular Weight500.93 g/mol
Exact Mass500.44
IUPAC Nametrimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]12C
InChIInChI=1S/C33H60OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,23-26,28-29H,12-14,16-22H2,1-11H3/t24-,25+,26?,28?,29+,31-,32+,33-/m1/s1
InChIKeyGAQWPEXNMKMRPW-HTUCOHATSA-N
XLogP10.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.93
LogP ≤ 510.27
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 trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The IUPAC name of trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane (CID 91753889) is trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@@H](O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]12C.
What is the InChIKey of trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
The InChIKey is GAQWPEXNMKMRPW-HTUCOHATSA-N. The full InChI is InChI=1S/C33H60OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h15,23-26,28-29H,12-14,16-22H2,1-11H3/t24-,25+,26?,28?,29+,31-,32+,33-/m1/s1.
What are the key properties of trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane?
trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane has a molecular weight of 500.93 g/mol, XLogP of 10.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(3S,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]silane is sourced from PubChem (CID 91753889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).