trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane

C26H48O2Si2 — CID 91697064

IUPACtrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1CC(O[Si](C)(C)C)CC2CCC3C4CC=C(O[Si](C)(C)C)C4(C)CCC3C12C
InChIInChI=1S/C26H48O2Si2/c1-18-16-20(27-29(4,5)6)17-19-10-11-21-22-12-13-24(28-30(7,8)9)25(22,2)15-14-23(21)26(18,19)3/h13,18-23H,10-12,14-17H2,1-9H3
InChIKeyIBCQWXIKTHRINZ-UHFFFAOYSA-N
MW448.84 g/mol
LogP7.84
Rot. Bonds4

About trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane

trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 91697064) has the molecular formula C26H48O2Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
PubChem CID91697064
Molecular FormulaC26H48O2Si2
Molecular Weight448.84 g/mol
Exact Mass448.32
IUPAC Nametrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1CC(O[Si](C)(C)C)CC2CCC3C4CC=C(O[Si](C)(C)C)C4(C)CCC3C12C
InChIInChI=1S/C26H48O2Si2/c1-18-16-20(27-29(4,5)6)17-19-10-11-21-22-12-13-24(28-30(7,8)9)25(22,2)15-14-23(21)26(18,19)3/h13,18-23H,10-12,14-17H2,1-9H3
InChIKeyIBCQWXIKTHRINZ-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The IUPAC name of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane (CID 91697064) is trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The canonical SMILES for trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane is CC1CC(O[Si](C)(C)C)CC2CCC3C4CC=C(O[Si](C)(C)C)C4(C)CCC3C12C.
What is the InChIKey of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The InChIKey is IBCQWXIKTHRINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O2Si2/c1-18-16-20(27-29(4,5)6)17-19-10-11-21-22-12-13-24(28-30(7,8)9)25(22,2)15-14-23(21)26(18,19)3/h13,18-23H,10-12,14-17H2,1-9H3.
What are the key properties of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 448.84 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 91697064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).