Tris(3-ethylheptan-3-yl) phosphite

C₂₇H₅₇O₃P — CID 175009117

About Tris(3-ethylheptan-3-yl) phosphite

Tris(3-ethylheptan-3-yl) phosphite (PubChem CID 175009117) has the molecular formula C₂₇H₅₇O₃P and a molecular weight of 460.72 g/mol. Its IUPAC name is tris(3-ethylheptan-3-yl) phosphite.

Molecular Properties

• Compound Name: Tris(3-ethylheptan-3-yl) phosphite
• PubChem CID: 175009117
• Molecular Formula: C₂₇H₅₇O₃P
• Molecular Weight: 460.72 g/mol
• Exact Mass: 460.40
• IUPAC Name: tris(3-ethylheptan-3-yl) phosphite
• SMILES: CCCCC(CC)(CC)OP(OC(CC)(CC)CCCC)OC(CC)(CC)CCCC
• InChI: InChI=1S/C27H57O3P/c1-10-19-22-25(13-4,14-5)28-31(29-26(15-6,16-7)23-20-11-2)30-27(17-8,18-9)24-21-12-3/h10-24H2,1-9H3
• InChIKey: QCBMVOVMBWZACH-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 21
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.72
LogP ≤ 5	10.51
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 Tris(3-ethylheptan-3-yl) phosphite?

The IUPAC name of Tris(3-ethylheptan-3-yl) phosphite (CID 175009117) is tris(3-ethylheptan-3-yl) phosphite.

What is the SMILES notation for Tris(3-ethylheptan-3-yl) phosphite?

The canonical SMILES for Tris(3-ethylheptan-3-yl) phosphite is CCCCC(CC)(CC)OP(OC(CC)(CC)CCCC)OC(CC)(CC)CCCC.

What is the InChIKey of Tris(3-ethylheptan-3-yl) phosphite?

The InChIKey is QCBMVOVMBWZACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57O3P/c1-10-19-22-25(13-4,14-5)28-31(29-26(15-6,16-7)23-20-11-2)30-27(17-8,18-9)24-21-12-3/h10-24H2,1-9H3.

What are the key properties of Tris(3-ethylheptan-3-yl) phosphite?

Tris(3-ethylheptan-3-yl) phosphite has a molecular weight of 460.72 g/mol, XLogP of 10.51, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(3-ethylheptan-3-yl) phosphite is sourced from PubChem (CID 175009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175009117 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.