1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite

C26H39O4P — CID 21499219

IUPAC1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
SMILESCCCCCCCCCCCC(OC(C)OP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39O4P/c1-3-4-5-6-7-8-9-10-17-22-26(24-18-13-11-14-19-24,25-20-15-12-16-21-25)29-23(2)30-31(27)28/h11-16,18-21,23,27-28H,3-10,17,22H2,1-2H3
InChIKeyOZOQVNSWRHEINE-UHFFFAOYSA-N
MW446.57 g/mol
LogP7.44
Rot. Bonds16

About 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite

1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite (PubChem CID 21499219) has the molecular formula C26H39O4P and a molecular weight of 446.57 g/mol. Its IUPAC name is 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite.

Molecular Properties

Compound Name1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
PubChem CID21499219
Molecular FormulaC26H39O4P
Molecular Weight446.57 g/mol
Exact Mass446.26
IUPAC Name1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite
SMILESCCCCCCCCCCCC(OC(C)OP(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39O4P/c1-3-4-5-6-7-8-9-10-17-22-26(24-18-13-11-14-19-24,25-20-15-12-16-21-25)29-23(2)30-31(27)28/h11-16,18-21,23,27-28H,3-10,17,22H2,1-2H3
InChIKeyOZOQVNSWRHEINE-UHFFFAOYSA-N
XLogP7.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylhexoxy-bis(sulfanyl)phosphane
CID 54190731
(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
CID 175096333
tris(1,1-diphenyltridecyl) phosphate
CID 87921329
5-phenylnonan-5-yl dihydrogen phosphite
CID 126613823
1,1-diphenyldodecan-1-amine
CID 19925745
1,1-diphenylhexan-1-amine
CID 20568221
15-phenylnonacosan-15-ylbenzene
CID 141310981
5-phenylundecan-5-ol
CID 175525363
5-phenyltetradecan-5-ol
CID 175223116
7-(7-phenyltridecan-7-ylperoxy)tridecan-7-ylbenzene
CID 154126549
2-phenyl-2-propan-2-yloctadecanoic acid
CID 159693537

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite?
The IUPAC name of 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite (CID 21499219) is 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite.
What is the SMILES notation for 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite?
The canonical SMILES for 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite is CCCCCCCCCCCC(OC(C)OP(O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite?
The InChIKey is OZOQVNSWRHEINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39O4P/c1-3-4-5-6-7-8-9-10-17-22-26(24-18-13-11-14-19-24,25-20-15-12-16-21-25)29-23(2)30-31(27)28/h11-16,18-21,23,27-28H,3-10,17,22H2,1-2H3.
What are the key properties of 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite?
1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite has a molecular weight of 446.57 g/mol, XLogP of 7.44, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenyldodecoxy)ethyl dihydrogen phosphite is sourced from PubChem (CID 21499219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).