2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C10H15O3P — CID 11252864

IUPAC2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=CCCOP1(=O)OCCC=C1C=C
InChIInChI=1S/C10H15O3P/c1-3-5-8-12-14(11)10(4-2)7-6-9-13-14/h3-4,7H,1-2,5-6,8-9H2
InChIKeyGRVGDFUFLXVFPX-UHFFFAOYSA-N
MW214.20 g/mol
LogP3.26
Rot. Bonds5

About 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 11252864) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID11252864
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=CCCOP1(=O)OCCC=C1C=C
InChIInChI=1S/C10H15O3P/c1-3-5-8-12-14(11)10(4-2)7-6-9-13-14/h3-4,7H,1-2,5-6,8-9H2
InChIKeyGRVGDFUFLXVFPX-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-3-ethenyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 15535668
Phosphoric acid diethyl ester hexa-3,5-dienyl ester
CID 156025269
(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
[(3E)-hexa-3,5-dienyl] methyl phosphate
CID 20726644
[(3E)-hexa-3,5-dienyl] methyl hydrogen phosphate
CID 20726645
[(3E)-hexa-3,5-dienoxy]-methylphosphinate
CID 20726646
1-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
5-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89702958
ethenyl-[(Z)-hex-3-enoxy]phosphinic acid
CID 169597881
(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
CID 175113362
(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
CID 175353079
2,11-Dioxa-1lambda5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
CID 11367430

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 11252864) is 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is C=CCCOP1(=O)OCCC=C1C=C.
What is the InChIKey of 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is GRVGDFUFLXVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c1-3-5-8-12-14(11)10(4-2)7-6-9-13-14/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 214.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-ethenyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 11252864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).