[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium

C10H19BrO2P+ — CID 134996460

IUPAC[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium
SMILESCCCCCC/C=C(\Br)[P+](=O)OCC
InChIInChI=1S/C10H19BrO2P/c1-3-5-6-7-8-9-10(11)14(12)13-4-2/h9H,3-8H2,1-2H3/q+1/b10-9+
InChIKeyMRDVTUDROSFVDX-MDZDMXLPSA-N
MW282.14 g/mol
LogP4.97
Rot. Bonds8

About [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium

[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium (PubChem CID 134996460) has the molecular formula C10H19BrO2P+ and a molecular weight of 282.14 g/mol. Its IUPAC name is [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium.

Molecular Properties

Compound Name[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium
PubChem CID134996460
Molecular FormulaC10H19BrO2P+
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium
SMILESCCCCCC/C=C(\Br)[P+](=O)OCC
InChIInChI=1S/C10H19BrO2P/c1-3-5-6-7-8-9-10(11)14(12)13-4-2/h9H,3-8H2,1-2H3/q+1/b10-9+
InChIKeyMRDVTUDROSFVDX-MDZDMXLPSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 54.97
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

Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(E)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 134933959
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
Diethyl oct-1-en-1-ylphosphonate
CID 54302676
(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 10850509
ethoxy-[(E)-oct-1-enyl]-oxophosphanium
CID 11298657
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
(Z)-1-diethoxyphosphoryl-1-dimethoxyphosphoryloct-1-ene
CID 176427402
(E)-1-diethoxyphosphoryl-1-fluoronon-1-ene
CID 102533054

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium?
The IUPAC name of [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium (CID 134996460) is [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium.
What is the SMILES notation for [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium?
The canonical SMILES for [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium is CCCCCC/C=C(\Br)[P+](=O)OCC.
What is the InChIKey of [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium?
The InChIKey is MRDVTUDROSFVDX-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H19BrO2P/c1-3-5-6-7-8-9-10(11)14(12)13-4-2/h9H,3-8H2,1-2H3/q+1/b10-9+.
What are the key properties of [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium?
[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium has a molecular weight of 282.14 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium is sourced from PubChem (CID 134996460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).