tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane

C23H34OSi — CID 10689513

IUPACtert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC12CCC=C1C1=C(CC2)C2=C(C=CCC2)CC1
InChIInChI=1S/C23H34OSi/c1-22(2,3)25(4,5)24-23-15-8-11-21(23)20-13-12-17-9-6-7-10-18(17)19(20)14-16-23/h6,9,11H,7-8,10,12-16H2,1-5H3
InChIKeyQTGRZRFDGKCXGT-UHFFFAOYSA-N
MW354.61 g/mol
LogP7.00
Rot. Bonds2

About tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane

tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane (PubChem CID 10689513) has the molecular formula C23H34OSi and a molecular weight of 354.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
PubChem CID10689513
Molecular FormulaC23H34OSi
Molecular Weight354.61 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC12CCC=C1C1=C(CC2)C2=C(C=CCC2)CC1
InChIInChI=1S/C23H34OSi/c1-22(2,3)25(4,5)24-23-15-8-11-21(23)20-13-12-17-9-6-7-10-18(17)19(20)14-16-23/h6,9,11H,7-8,10,12-16H2,1-5H3
InChIKeyQTGRZRFDGKCXGT-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane (CID 10689513) is tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane is CC(C)(C)[Si](C)(C)OC12CCC=C1C1=C(CC2)C2=C(C=CCC2)CC1.
What is the InChIKey of tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane?
The InChIKey is QTGRZRFDGKCXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34OSi/c1-22(2,3)25(4,5)24-23-15-8-11-21(23)20-13-12-17-9-6-7-10-18(17)19(20)14-16-23/h6,9,11H,7-8,10,12-16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane?
tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane has a molecular weight of 354.61 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane is sourced from PubChem (CID 10689513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).