ethoxy(undec-10-enyl)phosphinate

C13H26O3P- — CID 71356470

IUPACethoxy(undec-10-enyl)phosphinate
SMILESC=CCCCCCCCCCP(=O)([O-])OCC
InChIInChI=1S/C13H27O3P/c1-3-5-6-7-8-9-10-11-12-13-17(14,15)16-4-2/h3H,1,4-13H2,2H3,(H,14,15)/p-1
InChIKeyFDXFCWVVOCTAIP-UHFFFAOYSA-M
MW261.32 g/mol
LogP3.88
Rot. Bonds12

About ethoxy(undec-10-enyl)phosphinate

ethoxy(undec-10-enyl)phosphinate (PubChem CID 71356470) has the molecular formula C13H26O3P- and a molecular weight of 261.32 g/mol. Its IUPAC name is ethoxy(undec-10-enyl)phosphinate.

Molecular Properties

Compound Nameethoxy(undec-10-enyl)phosphinate
PubChem CID71356470
Molecular FormulaC13H26O3P-
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethoxy(undec-10-enyl)phosphinate
SMILESC=CCCCCCCCCCP(=O)([O-])OCC
InChIInChI=1S/C13H27O3P/c1-3-5-6-7-8-9-10-11-12-13-17(14,15)16-4-2/h3H,1,4-13H2,2H3,(H,14,15)/p-1
InChIKeyFDXFCWVVOCTAIP-UHFFFAOYSA-M
XLogP3.88
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.88
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

ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
sodium ethoxy(tridecyl)phosphinate
CID 90661205
3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate
CID 118091855
ethoxy(prop-2-enyl)phosphinate
CID 71365133
6-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]hex-1-ene
CID 129362430
11-[di(propan-2-yloxy)phosphorylmethyl-ethoxyphosphoryl]undec-1-ene
CID 21054116
11-dibutoxyphosphorylundec-1-ene
CID 23108314
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
hexadec-1-ene;phosphoric acid
CID 172734744
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
sodium octoxy(octyl)phosphinate
CID 139819934
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875

Frequently Asked Questions

What is the IUPAC name of ethoxy(undec-10-enyl)phosphinate?
The IUPAC name of ethoxy(undec-10-enyl)phosphinate (CID 71356470) is ethoxy(undec-10-enyl)phosphinate.
What is the SMILES notation for ethoxy(undec-10-enyl)phosphinate?
The canonical SMILES for ethoxy(undec-10-enyl)phosphinate is C=CCCCCCCCCCP(=O)([O-])OCC.
What is the InChIKey of ethoxy(undec-10-enyl)phosphinate?
The InChIKey is FDXFCWVVOCTAIP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H27O3P/c1-3-5-6-7-8-9-10-11-12-13-17(14,15)16-4-2/h3H,1,4-13H2,2H3,(H,14,15)/p-1.
What are the key properties of ethoxy(undec-10-enyl)phosphinate?
ethoxy(undec-10-enyl)phosphinate has a molecular weight of 261.32 g/mol, XLogP of 3.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(undec-10-enyl)phosphinate is sourced from PubChem (CID 71356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).