tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate

C18H40O14P2 — CID 165033493

About tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate

tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate (PubChem CID 165033493) has the molecular formula C18H40O14P2 and a molecular weight of 542.45 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
• PubChem CID: 165033493
• Molecular Formula: C18H40O14P2
• Molecular Weight: 542.45 g/mol
• Exact Mass: 542.19
• IUPAC Name: tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
• SMILES: CC(C)(C)OP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCO
• InChI: InChI=1S/C18H40O14P2/c1-18(2,3)32-34(22,23)31-17-15-28-13-11-26-9-7-24-6-8-25-10-12-27-14-16-30-33(20,21)29-5-4-19/h19H,4-17H2,1-3H3,(H,20,21)(H,22,23)
• InChIKey: WWLNPVPHQGOSLK-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 177.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.45
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate?

The IUPAC name of tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate (CID 165033493) is tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate.

What is the SMILES notation for tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate?

The canonical SMILES for tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate is CC(C)(C)OP(=O)(O)OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCO.

What is the InChIKey of tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate?

The InChIKey is WWLNPVPHQGOSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O14P2/c1-18(2,3)32-34(22,23)31-17-15-28-13-11-26-9-7-24-6-8-25-10-12-27-14-16-30-33(20,21)29-5-4-19/h19H,4-17H2,1-3H3,(H,20,21)(H,22,23).

What are the key properties of tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate?

tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate has a molecular weight of 542.45 g/mol, XLogP of 1.13, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate is sourced from PubChem (CID 165033493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).