4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium

C15H20PY- — CID 58999312

IUPAC4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium
SMILES[CH2-]CC1PCCC2c3ccccc3CCC12.[Y]
InChIInChI=1S/C15H20P.Y/c1-2-15-14-8-7-11-5-3-4-6-12(11)13(14)9-10-16-15;/h3-6,13-16H,1-2,7-10H2;/q-1;
InChIKeyBGUSBUIXBLPHAU-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.01
Rot. Bonds1

About 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium

4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium (PubChem CID 58999312) has the molecular formula C15H20PY- and a molecular weight of 320.20 g/mol. Its IUPAC name is 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium.

Molecular Properties

Compound Name4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium
PubChem CID58999312
Molecular FormulaC15H20PY-
Molecular Weight320.20 g/mol
Exact Mass320.04
IUPAC Name4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium
SMILES[CH2-]CC1PCCC2c3ccccc3CCC12.[Y]
InChIInChI=1S/C15H20P.Y/c1-2-15-14-8-7-11-5-3-4-6-12(11)13(14)9-10-16-15;/h3-6,13-16H,1-2,7-10H2;/q-1;
InChIKeyBGUSBUIXBLPHAU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium?
The IUPAC name of 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium (CID 58999312) is 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium.
What is the SMILES notation for 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium?
The canonical SMILES for 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium is [CH2-]CC1PCCC2c3ccccc3CCC12.[Y].
What is the InChIKey of 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium?
The InChIKey is BGUSBUIXBLPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20P.Y/c1-2-15-14-8-7-11-5-3-4-6-12(11)13(14)9-10-16-15;/h3-6,13-16H,1-2,7-10H2;/q-1;.
What are the key properties of 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium?
4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium has a molecular weight of 320.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isophosphinoline;yttrium is sourced from PubChem (CID 58999312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).