(17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

C26H42O2Si2 — CID 14299641

About (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane

(17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (PubChem CID 14299641) has the molecular formula C26H42O2Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

Molecular Properties

• Compound Name: (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
• PubChem CID: 14299641
• Molecular Formula: C26H42O2Si2
• Molecular Weight: 442.79 g/mol
• Exact Mass: 442.27
• IUPAC Name: (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane
• SMILES: C#CC1(O[Si](C)(C)C)CCC2C3CC=C4C=C(O[Si](C)(C)C)CCC4C3CCC21C
• InChI: InChI=1S/C26H42O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,10,18,21-24H,11-17H2,2-8H3
• InChIKey: NZZXHRLCRVDHQC-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.79
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The IUPAC name of (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane (CID 14299641) is (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane.

What is the SMILES notation for (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The canonical SMILES for (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is C#CC1(O[Si](C)(C)C)CCC2C3CC=C4C=C(O[Si](C)(C)C)CCC4C3CCC21C.

What is the InChIKey of (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

The InChIKey is NZZXHRLCRVDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2Si2/c1-9-26(28-30(6,7)8)17-15-24-23-12-10-19-18-20(27-29(3,4)5)11-13-21(19)22(23)14-16-25(24,26)2/h1,10,18,21-24H,11-17H2,2-8H3.

What are the key properties of (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane?

(17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane has a molecular weight of 442.79 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (17-ethynyl-13-methyl-3-trimethylsilyloxy-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-trimethylsilane is sourced from PubChem (CID 14299641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).