methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium

C24H41O2Y- — CID 159775321

About methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium

methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium (PubChem CID 159775321) has the molecular formula C24H41O2Y- and a molecular weight of 450.50 g/mol. Its IUPAC name is methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium.

Molecular Properties

• Compound Name: methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium
• PubChem CID: 159775321
• Molecular Formula: C24H41O2Y-
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.22
• IUPAC Name: methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium
• SMILES: C.C.CC1CCC2C3CCC4=C[C@@H](OC[C-]=O)CCC4(C)C3CCC12C.[Y]
• InChI: InChI=1S/C22H33O2.2CH4.Y/c1-15-4-7-19-18-6-5-16-14-17(24-13-12-23)8-10-22(16,3)20(18)9-11-21(15,19)2;;;/h14-15,17-20H,4-11,13H2,1-3H3;2*1H4;/q-1;;;/t15?,17-,18?,19?,20?,21?,22?;;;/m0.../s1
• InChIKey: PLGGQBSJSHLTAZ-WXWOGOMJSA-N
• XLogP: 6.35
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium?

The IUPAC name of methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium (CID 159775321) is methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium.

What is the SMILES notation for methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium?

The canonical SMILES for methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium is C.C.CC1CCC2C3CCC4=C[C@@H](OC[C-]=O)CCC4(C)C3CCC12C.[Y].

What is the InChIKey of methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium?

The InChIKey is PLGGQBSJSHLTAZ-WXWOGOMJSA-N. The full InChI is InChI=1S/C22H33O2.2CH4.Y/c1-15-4-7-19-18-6-5-16-14-17(24-13-12-23)8-10-22(16,3)20(18)9-11-21(15,19)2;;;/h14-15,17-20H,4-11,13H2,1-3H3;2*1H4;/q-1;;;/t15?,17-,18?,19?,20?,21?,22?;;;/m0.../s1.

What are the key properties of methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium?

methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium has a molecular weight of 450.50 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[(3S)-10,13,17-trimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanone;yttrium is sourced from PubChem (CID 159775321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).