2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane

C12H19O4P — CID 23418788

IUPAC2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
SMILESCCOP1(OCC)(c2ccccc2)OCCO1
InChIInChI=1S/C12H19O4P/c1-3-13-17(14-4-2,15-10-11-16-17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyYSMKQADHAOXMHX-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.64
Rot. Bonds5

About 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane

2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane (PubChem CID 23418788) has the molecular formula C12H19O4P and a molecular weight of 258.25 g/mol. Its IUPAC name is 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane.

Molecular Properties

Compound Name2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
PubChem CID23418788
Molecular FormulaC12H19O4P
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
SMILESCCOP1(OCC)(c2ccccc2)OCCO1
InChIInChI=1S/C12H19O4P/c1-3-13-17(14-4-2,15-10-11-16-17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyYSMKQADHAOXMHX-UHFFFAOYSA-N
XLogP2.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxy-2,2,3-trimethyl-1-phenyl-1λ5-phosphetane
CID 23413639
6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane
CID 23417083
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
CID 23413150
lithium ethyl-phenyl-trimethylsilylsilanide
CID 71419361
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
ethoxy-iodo-methyl-phenylsilane
CID 154486985
N-[2-(diethylamino-methyl-phenylsilyl)ethyl-methyl-phenylsilyl]-N-ethylethanamine
CID 71364497
ethoxy(phenyl)tin
CID 154146978
ethyl(triphenyl)silane
CID 5219688
N-[dimethyl(phenyl)silyl]oxy-N-ethylethanamine
CID 23290051
2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 68558324

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane?
The IUPAC name of 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane (CID 23418788) is 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane.
What is the SMILES notation for 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane?
The canonical SMILES for 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane is CCOP1(OCC)(c2ccccc2)OCCO1.
What is the InChIKey of 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane?
The InChIKey is YSMKQADHAOXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4P/c1-3-13-17(14-4-2,15-10-11-16-17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane?
2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane has a molecular weight of 258.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane is sourced from PubChem (CID 23418788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).