[(E)-hex-2-enyl]-oxo-propoxyphosphanium

C9H18O2P+ — CID 21131786

IUPAC[(E)-hex-2-enyl]-oxo-propoxyphosphanium
SMILESCCC/C=C/C[P+](=O)OCCC
InChIInChI=1S/C9H18O2P/c1-3-5-6-7-9-12(10)11-8-4-2/h6-7H,3-5,8-9H2,1-2H3/q+1/b7-6+
InChIKeyCAVWKYPTIYTXOG-VOTSOKGWSA-N
MW189.21 g/mol
LogP3.51
Rot. Bonds7

About [(E)-hex-2-enyl]-oxo-propoxyphosphanium

[(E)-hex-2-enyl]-oxo-propoxyphosphanium (PubChem CID 21131786) has the molecular formula C9H18O2P+ and a molecular weight of 189.21 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-oxo-propoxyphosphanium.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-oxo-propoxyphosphanium
PubChem CID21131786
Molecular FormulaC9H18O2P+
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(E)-hex-2-enyl]-oxo-propoxyphosphanium
SMILESCCC/C=C/C[P+](=O)OCCC
InChIInChI=1S/C9H18O2P/c1-3-5-6-7-9-12(10)11-8-4-2/h6-7H,3-5,8-9H2,1-2H3/q+1/b7-6+
InChIKeyCAVWKYPTIYTXOG-VOTSOKGWSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 53.51
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

Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Diethyl 3-butenylphosphonate
CID 10997850
3-Phospholene, 1-ethoxy-3-methyl-, 1-oxide
CID 205862
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
5-[Fluoro(propan-2-yloxy)phosphoryl]pent-2-ene
CID 129695322
[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-oxo-propoxyphosphanium?
The IUPAC name of [(E)-hex-2-enyl]-oxo-propoxyphosphanium (CID 21131786) is [(E)-hex-2-enyl]-oxo-propoxyphosphanium.
What is the SMILES notation for [(E)-hex-2-enyl]-oxo-propoxyphosphanium?
The canonical SMILES for [(E)-hex-2-enyl]-oxo-propoxyphosphanium is CCC/C=C/C[P+](=O)OCCC.
What is the InChIKey of [(E)-hex-2-enyl]-oxo-propoxyphosphanium?
The InChIKey is CAVWKYPTIYTXOG-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O2P/c1-3-5-6-7-9-12(10)11-8-4-2/h6-7H,3-5,8-9H2,1-2H3/q+1/b7-6+.
What are the key properties of [(E)-hex-2-enyl]-oxo-propoxyphosphanium?
[(E)-hex-2-enyl]-oxo-propoxyphosphanium has a molecular weight of 189.21 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-oxo-propoxyphosphanium is sourced from PubChem (CID 21131786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).