butoxy-oxo-propylphosphanium

C7H16O2P+ — CID 22095717

IUPACbutoxy-oxo-propylphosphanium
SMILESCCCCO[P+](=O)CCC
InChIInChI=1S/C7H16O2P/c1-3-5-6-9-10(8)7-4-2/h3-7H2,1-2H3/q+1
InChIKeyAOTIOOJBCBPONB-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.96
Rot. Bonds6

About butoxy-oxo-propylphosphanium

butoxy-oxo-propylphosphanium (PubChem CID 22095717) has the molecular formula C7H16O2P+ and a molecular weight of 163.18 g/mol. Its IUPAC name is butoxy-oxo-propylphosphanium.

Molecular Properties

Compound Namebutoxy-oxo-propylphosphanium
PubChem CID22095717
Molecular FormulaC7H16O2P+
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Namebutoxy-oxo-propylphosphanium
SMILESCCCCO[P+](=O)CCC
InChIInChI=1S/C7H16O2P/c1-3-5-6-9-10(8)7-4-2/h3-7H2,1-2H3/q+1
InChIKeyAOTIOOJBCBPONB-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.96
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

Tributyl Phosphate
CID 31357
Diisopropyl Methylphosphonate
CID 3073
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl butylphosphonate
CID 6539
Diethyl ethylphosphonate
CID 6534
Diamyl amylphosphonate
CID 80880
Diethyl P-hexylphosphonate
CID 85311
Ethyl methyl ethylphosphonate
CID 79183
Butyl methylphosphinate
CID 10877172
Dibutyl propylphosphonate
CID 99440
Phosphoric acid, butyl diethyl ester
CID 75956
Butyl methylphosphonate
CID 12459492

Frequently Asked Questions

What is the IUPAC name of butoxy-oxo-propylphosphanium?
The IUPAC name of butoxy-oxo-propylphosphanium (CID 22095717) is butoxy-oxo-propylphosphanium.
What is the SMILES notation for butoxy-oxo-propylphosphanium?
The canonical SMILES for butoxy-oxo-propylphosphanium is CCCCO[P+](=O)CCC.
What is the InChIKey of butoxy-oxo-propylphosphanium?
The InChIKey is AOTIOOJBCBPONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2P/c1-3-5-6-9-10(8)7-4-2/h3-7H2,1-2H3/q+1.
What are the key properties of butoxy-oxo-propylphosphanium?
butoxy-oxo-propylphosphanium has a molecular weight of 163.18 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-oxo-propylphosphanium is sourced from PubChem (CID 22095717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).