1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane

C10H20ClO3P — CID 134992889

IUPAC1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane
SMILESCCCCOP(=O)(/C=C\Cl)OCCCC
InChIInChI=1S/C10H20ClO3P/c1-3-5-8-13-15(12,10-7-11)14-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyXXHLCXONKTVILV-YFHOEESVSA-N
MW254.69 g/mol
LogP4.52
Rot. Bonds9

About 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane

1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane (PubChem CID 134992889) has the molecular formula C10H20ClO3P and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane
PubChem CID134992889
Molecular FormulaC10H20ClO3P
Molecular Weight254.69 g/mol
Exact Mass254.08
IUPAC Name1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane
SMILESCCCCOP(=O)(/C=C\Cl)OCCCC
InChIInChI=1S/C10H20ClO3P/c1-3-5-8-13-15(12,10-7-11)14-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyXXHLCXONKTVILV-YFHOEESVSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane?
The IUPAC name of 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane (CID 134992889) is 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane.
What is the SMILES notation for 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane?
The canonical SMILES for 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane is CCCCOP(=O)(/C=C\Cl)OCCCC.
What is the InChIKey of 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane?
The InChIKey is XXHLCXONKTVILV-YFHOEESVSA-N. The full InChI is InChI=1S/C10H20ClO3P/c1-3-5-8-13-15(12,10-7-11)14-9-6-4-2/h7,10H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane?
1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane has a molecular weight of 254.69 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy-[(Z)-2-chloroethenyl]phosphoryl]oxybutane is sourced from PubChem (CID 134992889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).