trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane

C24H38O2Si2 — CID 526216

IUPACtrimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC12C=CC3=C4CC=C(O[Si](C)(C)C)C=C4CCC3C1CCC2O[Si](C)(C)C
InChIInChI=1S/C24H38O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,14-16,21-23H,8,10-13H2,1-7H3
InChIKeyPJBUVIMQXWOOFQ-UHFFFAOYSA-N
MW414.74 g/mol
LogP6.96
Rot. Bonds4

About trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane

trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 526216) has the molecular formula C24H38O2Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
PubChem CID526216
Molecular FormulaC24H38O2Si2
Molecular Weight414.74 g/mol
Exact Mass414.24
IUPAC Nametrimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC12C=CC3=C4CC=C(O[Si](C)(C)C)C=C4CCC3C1CCC2O[Si](C)(C)C
InChIInChI=1S/C24H38O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,14-16,21-23H,8,10-13H2,1-7H3
InChIKeyPJBUVIMQXWOOFQ-UHFFFAOYSA-N
XLogP6.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 56.96
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-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The IUPAC name of trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (CID 526216) is trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The canonical SMILES for trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is CC12C=CC3=C4CC=C(O[Si](C)(C)C)C=C4CCC3C1CCC2O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The InChIKey is PJBUVIMQXWOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,14-16,21-23H,8,10-13H2,1-7H3.
What are the key properties of trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 414.74 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(13-methyl-3-trimethylsilyloxy-1,6,7,8,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 526216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).