oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium

C8H14O2P+ — CID 88759838

IUPACoxo-pent-4-en-2-yl-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)C(C)CC=C
InChIInChI=1S/C8H14O2P/c1-4-6-8(3)11(9)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1
InChIKeyIOLGIFGLJRGETB-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.90
Rot. Bonds6

About oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium

oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium (PubChem CID 88759838) has the molecular formula C8H14O2P+ and a molecular weight of 173.17 g/mol. Its IUPAC name is oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium.

Molecular Properties

Compound Nameoxo-pent-4-en-2-yl-prop-2-enoxyphosphanium
PubChem CID88759838
Molecular FormulaC8H14O2P+
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameoxo-pent-4-en-2-yl-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)C(C)CC=C
InChIInChI=1S/C8H14O2P/c1-4-6-8(3)11(9)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1
InChIKeyIOLGIFGLJRGETB-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
(1-methylsulfonyloxy-2-oxopropyl)-oxo-prop-2-enoxyphosphanium
CID 130464068
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
4-iodopent-1-ene
CID 13244562
4-propan-2-ylhepta-1,6-diene
CID 14140894
(4S)-4-iodopent-1-ene
CID 88562936
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
2-(ethylamino)-3-methylhex-5-en-2-ol
CID 174655406
CID 123645963
CID 123645963
(4R)-4-methoxyhex-1-en-5-yne
CID 10796716
3-prop-2-enoxybutanal
CID 12509754

Frequently Asked Questions

What is the IUPAC name of oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium?
The IUPAC name of oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium (CID 88759838) is oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium.
What is the SMILES notation for oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium?
The canonical SMILES for oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium is C=CCO[P+](=O)C(C)CC=C.
What is the InChIKey of oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium?
The InChIKey is IOLGIFGLJRGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2P/c1-4-6-8(3)11(9)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1.
What are the key properties of oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium?
oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium has a molecular weight of 173.17 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-pent-4-en-2-yl-prop-2-enoxyphosphanium is sourced from PubChem (CID 88759838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).