2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate

C40H48O6P2 — CID 157256628

IUPAC2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate
SMILESO=C(CCP(c1ccccc1)c1ccccc1)OCCOCCCCCCOCCOC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H48O6P2/c41-39(25-33-47(35-17-7-3-8-18-35)36-19-9-4-10-20-36)45-31-29-43-27-15-1-2-16-28-44-30-32-46-40(42)26-34-48(37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-24H,1-2,15-16,25-34H2
InChIKeyAWYUUCJNQVPWFY-UHFFFAOYSA-N
MW686.77 g/mol
LogP6.71
Rot. Bonds23

About 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate

2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate (PubChem CID 157256628) has the molecular formula C40H48O6P2 and a molecular weight of 686.77 g/mol. Its IUPAC name is 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate.

Molecular Properties

Compound Name2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate
PubChem CID157256628
Molecular FormulaC40H48O6P2
Molecular Weight686.77 g/mol
Exact Mass686.29
IUPAC Name2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate
SMILESO=C(CCP(c1ccccc1)c1ccccc1)OCCOCCCCCCOCCOC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H48O6P2/c41-39(25-33-47(35-17-7-3-8-18-35)36-19-9-4-10-20-36)45-31-29-43-27-15-1-2-16-28-44-30-32-46-40(42)26-34-48(37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-24H,1-2,15-16,25-34H2
InChIKeyAWYUUCJNQVPWFY-UHFFFAOYSA-N
XLogP6.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.77
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-O-(5-diphenylphosphanylpentyl) 1-O-ethyl propanedioate
CID 101262624
CID 11999490
CID 11999490
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
10-diphenylphosphanyldecanoic acid
CID 71402645
3-diphenylphosphanylpropyl acetate
CID 57133096
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
bis(10-diphenylphosphanyldecoxy)-phenylphosphane
CID 12054176
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
bis(3-phenylpropyl) decanedioate
CID 91710064
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
CID 25267924
CID 25267924

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate?
The IUPAC name of 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate (CID 157256628) is 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate.
What is the SMILES notation for 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate?
The canonical SMILES for 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate is O=C(CCP(c1ccccc1)c1ccccc1)OCCOCCCCCCOCCOC(=O)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate?
The InChIKey is AWYUUCJNQVPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48O6P2/c41-39(25-33-47(35-17-7-3-8-18-35)36-19-9-4-10-20-36)45-31-29-43-27-15-1-2-16-28-44-30-32-46-40(42)26-34-48(37-21-11-5-12-22-37)38-23-13-6-14-24-38/h3-14,17-24H,1-2,15-16,25-34H2.
What are the key properties of 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate?
2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate has a molecular weight of 686.77 g/mol, XLogP of 6.71, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3-diphenylphosphanylpropanoyloxy)ethoxy]hexoxy]ethyl 3-diphenylphosphanylpropanoate is sourced from PubChem (CID 157256628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).