2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine

C10H15O2P — CID 101135758

IUPAC2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine
SMILESC=CCCOP1OCCC=C1C=C
InChIInChI=1S/C10H15O2P/c1-3-5-8-11-13-10(4-2)7-6-9-12-13/h3-4,7H,1-2,5-6,8-9H2
InChIKeyXXINHTKXQXERPS-UHFFFAOYSA-N
MW198.20 g/mol
LogP3.38
Rot. Bonds5

About 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine

2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine (PubChem CID 101135758) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine.

Molecular Properties

Compound Name2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine
PubChem CID101135758
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine
SMILESC=CCCOP1OCCC=C1C=C
InChIInChI=1S/C10H15O2P/c1-3-5-8-11-13-10(4-2)7-6-9-12-13/h3-4,7H,1-2,5-6,8-9H2
InChIKeyXXINHTKXQXERPS-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3E)-6-dimethylphosphoryloxyhexa-1,3-diene
CID 20726635
[(3E)-hexa-3,5-dienoxy]-methylphosphinate
CID 20726646
Oxido-[6-[oxido(propoxy)phosphaniumylidene]cyclohexa-2,4-dien-1-ylidene]-propoxyphosphanium
CID 141740855
(Z)-cyclohexa-2,4-dien-1-ylidene-oxido-propan-2-yloxyphosphanium
CID 175112757
(E)-butoxy-cyclohexa-2,4-dien-1-ylidene-oxidophosphanium
CID 175113362
(E)-cyclohexa-2,4-dien-1-ylidene-(2-methylpropoxy)-oxidophosphanium
CID 175113731
(E)-cyclohexa-2,4-dien-1-ylidene-oxido-propoxyphosphanium
CID 175353079
2-But-3-enoxy-3-ethenyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11252864
2,11-Dioxa-1lambda5-phosphabicyclo[5.4.0]undeca-5,7-diene 1-oxide
CID 11367430
Cyclopenta-2,4-dien-1-yl(diethoxy)phosphane
CID 14092722
1-Diethoxyphosphoryl-cyclohexa-1,3-diene
CID 24977301
2,3,7,8-Tetrahydrooxaphosphinino[2,3-b]oxaphosphepine
CID 101135759

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine?
The IUPAC name of 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine (CID 101135758) is 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine.
What is the SMILES notation for 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine?
The canonical SMILES for 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine is C=CCCOP1OCCC=C1C=C.
What is the InChIKey of 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine?
The InChIKey is XXINHTKXQXERPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2P/c1-3-5-8-11-13-10(4-2)7-6-9-12-13/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine?
2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine has a molecular weight of 198.20 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-ethenyl-5,6-dihydrooxaphosphinine is sourced from PubChem (CID 101135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).