(13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium

C19H25Y- — CID 59676568

About (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium

(13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium (PubChem CID 59676568) has the molecular formula C19H25Y- and a molecular weight of 342.32 g/mol. Its IUPAC name is (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium.

Molecular Properties

• Compound Name: (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium
• PubChem CID: 59676568
• Molecular Formula: C19H25Y-
• Molecular Weight: 342.32 g/mol
• Exact Mass: 342.10
• IUPAC Name: (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium
• SMILES: Cc1[c-]cc2c(c1)CCC1C2CC[C@]2(C)CCCC12.[Y]
• InChI: InChI=1S/C19H25.Y/c1-13-5-7-15-14(12-13)6-8-17-16(15)9-11-19(2)10-3-4-18(17)19;/h7,12,16-18H,3-4,6,8-11H2,1-2H3;/q-1;/t16?,17?,18?,19-;/m0./s1
• InChIKey: JHGIEMIIWDQQRR-LNBFSHRSSA-N
• XLogP: 5.04
• TPSA: 0.00 Ų
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.32
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium?

The IUPAC name of (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium (CID 59676568) is (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium.

What is the SMILES notation for (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium?

The canonical SMILES for (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium is Cc1[c-]cc2c(c1)CCC1C2CC[C@]2(C)CCCC12.[Y].

What is the InChIKey of (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium?

The InChIKey is JHGIEMIIWDQQRR-LNBFSHRSSA-N. The full InChI is InChI=1S/C19H25.Y/c1-13-5-7-15-14(12-13)6-8-17-16(15)9-11-19(2)10-3-4-18(17)19;/h7,12,16-18H,3-4,6,8-11H2,1-2H3;/q-1;/t16?,17?,18?,19-;/m0./s1.

What are the key properties of (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium?

(13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium has a molecular weight of 342.32 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (13S)-3,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-2-ide;yttrium is sourced from PubChem (CID 59676568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).