trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane

C26H46O2Si2 — CID 91731953

IUPACtrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1=CC(O[Si](C)(C)C)=CC2CCC3C4CCC(O[Si](C)(C)C)C4(C)CCC3C12C
InChIInChI=1S/C26H46O2Si2/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/h16-17,19,21-24H,10-15H2,1-9H3
InChIKeyUYGZRVZYMDVGDD-UHFFFAOYSA-N
MW446.82 g/mol
LogP7.76
Rot. Bonds4

About trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane

trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane (PubChem CID 91731953) has the molecular formula C26H46O2Si2 and a molecular weight of 446.82 g/mol. Its IUPAC name is trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane
PubChem CID91731953
Molecular FormulaC26H46O2Si2
Molecular Weight446.82 g/mol
Exact Mass446.30
IUPAC Nametrimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane
SMILESCC1=CC(O[Si](C)(C)C)=CC2CCC3C4CCC(O[Si](C)(C)C)C4(C)CCC3C12C
InChIInChI=1S/C26H46O2Si2/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/h16-17,19,21-24H,10-15H2,1-9H3
InChIKeyUYGZRVZYMDVGDD-UHFFFAOYSA-N
XLogP7.76
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 ≤ 57.76
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-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The IUPAC name of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane (CID 91731953) is trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The canonical SMILES for trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane is CC1=CC(O[Si](C)(C)C)=CC2CCC3C4CCC(O[Si](C)(C)C)C4(C)CCC3C12C.
What is the InChIKey of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
The InChIKey is UYGZRVZYMDVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2Si2/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/h16-17,19,21-24H,10-15H2,1-9H3.
What are the key properties of trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane?
trimethyl-[(1,10,13-trimethyl-3-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane has a molecular weight of 446.82 g/mol, XLogP of 7.76, 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-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl)oxy]silane is sourced from PubChem (CID 91731953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).