tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane

C35H60OSi — CID 10907493

IUPACtert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C35H60OSi/c1-24(2)14-13-15-25(3)27-17-18-28-26-16-19-30-33(7,8)31(36-37(11,12)32(4,5)6)21-23-35(30,10)29(26)20-22-34(27,28)9/h14,18,25,27,30-31H,13,15-17,19-23H2,1-12H3/t25-,27-,30+,31+,34-,35-/m1/s1
InChIKeyLMOCYMUAEXSGEV-FUFWMRPGSA-N
MW524.95 g/mol
LogP11.04
Rot. Bonds6

About tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane

tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane (PubChem CID 10907493) has the molecular formula C35H60OSi and a molecular weight of 524.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
PubChem CID10907493
Molecular FormulaC35H60OSi
Molecular Weight524.95 g/mol
Exact Mass524.44
IUPAC Nametert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C35H60OSi/c1-24(2)14-13-15-25(3)27-17-18-28-26-16-19-30-33(7,8)31(36-37(11,12)32(4,5)6)21-23-35(30,10)29(26)20-22-34(27,28)9/h14,18,25,27,30-31H,13,15-17,19-23H2,1-12H3/t25-,27-,30+,31+,34-,35-/m1/s1
InChIKeyLMOCYMUAEXSGEV-FUFWMRPGSA-N
XLogP11.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.95
LogP ≤ 511.04
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane (CID 10907493) is tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane is CC(C)=CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]1CC3.
What is the InChIKey of tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
The InChIKey is LMOCYMUAEXSGEV-FUFWMRPGSA-N. The full InChI is InChI=1S/C35H60OSi/c1-24(2)14-13-15-25(3)27-17-18-28-26-16-19-30-33(7,8)31(36-37(11,12)32(4,5)6)21-23-35(30,10)29(26)20-22-34(27,28)9/h14,18,25,27,30-31H,13,15-17,19-23H2,1-12H3/t25-,27-,30+,31+,34-,35-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane?
tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane has a molecular weight of 524.95 g/mol, XLogP of 11.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(3S,5R,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]silane is sourced from PubChem (CID 10907493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).