trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane

C27H48O2Si2 — CID 78409497

IUPACtrimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1C=C2C=C(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CCC3(C)O[Si](C)(C)C)C12
InChIInChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3
InChIKeyFKNAXZNQYPTDCN-UHFFFAOYSA-N
MW460.85 g/mol
LogP8.15
Rot. Bonds4

About trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane

trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 78409497) has the molecular formula C27H48O2Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
PubChem CID78409497
Molecular FormulaC27H48O2Si2
Molecular Weight460.85 g/mol
Exact Mass460.32
IUPAC Nametrimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1C=C2C=C(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CCC3(C)O[Si](C)(C)C)C12
InChIInChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3
InChIKeyFKNAXZNQYPTDCN-UHFFFAOYSA-N
XLogP8.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.85
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The IUPAC name of trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (CID 78409497) is trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The canonical SMILES for trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is CC1C=C2C=C(O[Si](C)(C)C)CCC2(C)C2CCC3(C)C(CCC3(C)O[Si](C)(C)C)C12.
What is the InChIKey of trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The InChIKey is FKNAXZNQYPTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O2Si2/c1-19-17-20-18-21(28-30(5,6)7)11-14-25(20,2)22-12-15-26(3)23(24(19)22)13-16-27(26,4)29-31(8,9)10/h17-19,22-24H,11-16H2,1-10H3.
What are the key properties of trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 460.85 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 78409497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).