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

C26H46O2Si2 — CID 78409509

IUPACtrimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C1CCC2(C)O[Si](C)(C)C
InChIInChI=1S/C26H46O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h10,18,21-23H,11-17H2,1-9H3
InChIKeyGISBYVRBKWVVFE-UHFFFAOYSA-N
MW446.82 g/mol
LogP7.90
Rot. Bonds4

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

trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 78409509) has the molecular formula C26H46O2Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
PubChem CID78409509
Molecular FormulaC26H46O2Si2
Molecular Weight446.82 g/mol
Exact Mass446.30
IUPAC Nametrimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C1CCC2(C)O[Si](C)(C)C
InChIInChI=1S/C26H46O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h10,18,21-23H,11-17H2,1-9H3
InChIKeyGISBYVRBKWVVFE-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 57.90
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-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The IUPAC name of trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane (CID 78409509) is trimethyl-[(10,13,17-trimethyl-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-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The canonical SMILES for trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is CC12CCC(O[Si](C)(C)C)=CC1=CCC1C2CCC2(C)C1CCC2(C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
The InChIKey is GISBYVRBKWVVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2Si2/c1-24-15-12-20(27-29(4,5)6)18-19(24)10-11-21-22(24)13-16-25(2)23(21)14-17-26(25,3)28-30(7,8)9/h10,18,21-23H,11-17H2,1-9H3.
What are the key properties of trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane?
trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 446.82 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(10,13,17-trimethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 78409509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).