(4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane

C19H30NO2P — CID 143482292

About (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane

(4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane (PubChem CID 143482292) has the molecular formula C19H30NO2P and a molecular weight of 335.43 g/mol. Its IUPAC name is (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane.

Molecular Properties

• Compound Name: (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane
• PubChem CID: 143482292
• Molecular Formula: C19H30NO2P
• Molecular Weight: 335.43 g/mol
• Exact Mass: 335.20
• IUPAC Name: (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane
• SMILES: CC(C)C1=CC2=CCC3C(OP(C)N=O)CCCC3(C)C2CC1
• InChI: InChI=1S/C19H30NO2P/c1-13(2)14-7-9-16-15(12-14)8-10-17-18(22-23(4)20-21)6-5-11-19(16,17)3/h8,12-13,16-18H,5-7,9-11H2,1-4H3
• InChIKey: LFZLGLBNKAJMGZ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane?

The IUPAC name of (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane (CID 143482292) is (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane.

What is the SMILES notation for (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane?

The canonical SMILES for (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane is CC(C)C1=CC2=CCC3C(OP(C)N=O)CCCC3(C)C2CC1.

What is the InChIKey of (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane?

The InChIKey is LFZLGLBNKAJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30NO2P/c1-13(2)14-7-9-16-15(12-14)8-10-17-18(22-23(4)20-21)6-5-11-19(16,17)3/h8,12-13,16-18H,5-7,9-11H2,1-4H3.

What are the key properties of (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane?

(4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane has a molecular weight of 335.43 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4a-methyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydro-1H-phenanthren-1-yl)oxy-methyl-nitrosophosphane is sourced from PubChem (CID 143482292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).