butoxy-[(E)-dec-1-enyl]-oxophosphanium

C14H28O2P+ — CID 134992940

IUPACbutoxy-[(E)-dec-1-enyl]-oxophosphanium
SMILESCCCCCCCC/C=C/[P+](=O)OCCCC
InChIInChI=1S/C14H28O2P/c1-3-5-7-8-9-10-11-12-14-17(15)16-13-6-4-2/h12,14H,3-11,13H2,1-2H3/q+1/b14-12+
InChIKeyRHPNZABBUQGEIC-WYMLVPIESA-N
MW259.35 g/mol
LogP5.81
Rot. Bonds12

About butoxy-[(E)-dec-1-enyl]-oxophosphanium

butoxy-[(E)-dec-1-enyl]-oxophosphanium (PubChem CID 134992940) has the molecular formula C14H28O2P+ and a molecular weight of 259.35 g/mol. Its IUPAC name is butoxy-[(E)-dec-1-enyl]-oxophosphanium.

Molecular Properties

Compound Namebutoxy-[(E)-dec-1-enyl]-oxophosphanium
PubChem CID134992940
Molecular FormulaC14H28O2P+
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namebutoxy-[(E)-dec-1-enyl]-oxophosphanium
SMILESCCCCCCCC/C=C/[P+](=O)OCCCC
InChIInChI=1S/C14H28O2P/c1-3-5-7-8-9-10-11-12-14-17(15)16-13-6-4-2/h12,14H,3-11,13H2,1-2H3/q+1/b14-12+
InChIKeyRHPNZABBUQGEIC-WYMLVPIESA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Octyloxy)-2,3-dihydro-1H-1lambda~5~-phosphol-1-one
CID 206329
Phosphonic acid, 1-octenyl-, dioctyl ester
CID 6446661
11-Dodecenyl-phosphonofluoridic acid 1-methylethyl ester
CID 124523540
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(Z)-1-diethoxyphosphorylhex-1-ene
CID 11063957
5-Diethoxyphosphorylhex-1-ene
CID 85795847
6-Diethoxyphosphorylhept-1-ene
CID 85795853

Frequently Asked Questions

What is the IUPAC name of butoxy-[(E)-dec-1-enyl]-oxophosphanium?
The IUPAC name of butoxy-[(E)-dec-1-enyl]-oxophosphanium (CID 134992940) is butoxy-[(E)-dec-1-enyl]-oxophosphanium.
What is the SMILES notation for butoxy-[(E)-dec-1-enyl]-oxophosphanium?
The canonical SMILES for butoxy-[(E)-dec-1-enyl]-oxophosphanium is CCCCCCCC/C=C/[P+](=O)OCCCC.
What is the InChIKey of butoxy-[(E)-dec-1-enyl]-oxophosphanium?
The InChIKey is RHPNZABBUQGEIC-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28O2P/c1-3-5-7-8-9-10-11-12-14-17(15)16-13-6-4-2/h12,14H,3-11,13H2,1-2H3/q+1/b14-12+.
What are the key properties of butoxy-[(E)-dec-1-enyl]-oxophosphanium?
butoxy-[(E)-dec-1-enyl]-oxophosphanium has a molecular weight of 259.35 g/mol, XLogP of 5.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[(E)-dec-1-enyl]-oxophosphanium is sourced from PubChem (CID 134992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).