ethoxy-hex-5-enyl-oxophosphanium

C8H16O2P+ — CID 134973479

IUPACethoxy-hex-5-enyl-oxophosphanium
SMILESC=CCCCC[P+](=O)OCC
InChIInChI=1S/C8H16O2P/c1-3-5-6-7-8-11(9)10-4-2/h3H,1,4-8H2,2H3/q+1
InChIKeyBDQZCMNSIRBQOF-UHFFFAOYSA-N
MW175.19 g/mol
LogP3.12
Rot. Bonds7

About ethoxy-hex-5-enyl-oxophosphanium

ethoxy-hex-5-enyl-oxophosphanium (PubChem CID 134973479) has the molecular formula C8H16O2P+ and a molecular weight of 175.19 g/mol. Its IUPAC name is ethoxy-hex-5-enyl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-hex-5-enyl-oxophosphanium
PubChem CID134973479
Molecular FormulaC8H16O2P+
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Nameethoxy-hex-5-enyl-oxophosphanium
SMILESC=CCCCC[P+](=O)OCC
InChIInChI=1S/C8H16O2P/c1-3-5-6-7-8-11(9)10-4-2/h3H,1,4-8H2,2H3/q+1
InChIKeyBDQZCMNSIRBQOF-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 53.12
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

Phosphinic acid, diallyl-, propyl ester
CID 120311
Diethyl 2-butenylphosphonate, predominantly trans
CID 10943314
Phosphonic acid, allyl-, dibutyl ester
CID 199692
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl 3-butenylphosphonate
CID 10997850
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
diethyl (E)-(3,3-dimethylbut-1-en-1-yl)phosphonate
CID 11790710
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
Hex-5-enyl(methoxy)phosphinic acid
CID 90684383

Frequently Asked Questions

What is the IUPAC name of ethoxy-hex-5-enyl-oxophosphanium?
The IUPAC name of ethoxy-hex-5-enyl-oxophosphanium (CID 134973479) is ethoxy-hex-5-enyl-oxophosphanium.
What is the SMILES notation for ethoxy-hex-5-enyl-oxophosphanium?
The canonical SMILES for ethoxy-hex-5-enyl-oxophosphanium is C=CCCCC[P+](=O)OCC.
What is the InChIKey of ethoxy-hex-5-enyl-oxophosphanium?
The InChIKey is BDQZCMNSIRBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2P/c1-3-5-6-7-8-11(9)10-4-2/h3H,1,4-8H2,2H3/q+1.
What are the key properties of ethoxy-hex-5-enyl-oxophosphanium?
ethoxy-hex-5-enyl-oxophosphanium has a molecular weight of 175.19 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hex-5-enyl-oxophosphanium is sourced from PubChem (CID 134973479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).