5-diethoxyphosphoryl-3,4-dihydro-2H-pyran

C9H17O4P — CID 11345021

IUPAC5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=COCCC1
InChIInChI=1S/C9H17O4P/c1-3-12-14(10,13-4-2)9-6-5-7-11-8-9/h8H,3-7H2,1-2H3
InChIKeyUORMMGKUXQTDCB-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.90
Rot. Bonds5

About 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran

5-diethoxyphosphoryl-3,4-dihydro-2H-pyran (PubChem CID 11345021) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
PubChem CID11345021
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5-diethoxyphosphoryl-3,4-dihydro-2H-pyran
SMILESCCOP(=O)(OCC)C1=COCCC1
InChIInChI=1S/C9H17O4P/c1-3-12-14(10,13-4-2)9-6-5-7-11-8-9/h8H,3-7H2,1-2H3
InChIKeyUORMMGKUXQTDCB-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.90
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

3-diethoxyphosphoryl-4,4a,5,6,7,8a-hexahydropyrano[2,3-b]pyran
CID 73117051
5-diethoxyphosphoryl-2-phenyl-3,4-dihydro-2H-pyran
CID 11748465
1-diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
1-diethoxyphosphoryl-4-methylcyclohexene
CID 12856524
1-(5-diethoxyphosphoryl-3,3-dimethyl-2,4-dihydropyran-2-yl)piperidine
CID 134932206
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
CID 2773704
CID 11461408
CID 11461408
[1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropyl]hydrazine
CID 105222718
5,11,17,23,29-pentakis(diethoxyphosphoryl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 102025776
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 116709884
tris(4-diethoxyphosphorylphenyl)phosphane
CID 10675951
2-diethoxyphosphoryl-3-trimethylsilylcyclopent-2-en-1-one
CID 102131380

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran (CID 11345021) is 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran is CCOP(=O)(OCC)C1=COCCC1.
What is the InChIKey of 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran?
The InChIKey is UORMMGKUXQTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-3-12-14(10,13-4-2)9-6-5-7-11-8-9/h8H,3-7H2,1-2H3.
What are the key properties of 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran?
5-diethoxyphosphoryl-3,4-dihydro-2H-pyran has a molecular weight of 220.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11345021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).