1-[butyl(chloro)phosphoryl]butane

C8H18ClOP — CID 2784368

IUPAC1-[butyl(chloro)phosphoryl]butane
SMILESCCCCP(=O)(Cl)CCCC
InChIInChI=1S/C8H18ClOP/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
InChIKeyANVPJIVTLVQUNV-UHFFFAOYSA-N
MW196.66 g/mol
LogP4.10
Rot. Bonds6

About 1-[butyl(chloro)phosphoryl]butane

1-[butyl(chloro)phosphoryl]butane (PubChem CID 2784368) has the molecular formula C8H18ClOP and a molecular weight of 196.66 g/mol. Its IUPAC name is 1-[butyl(chloro)phosphoryl]butane.

Molecular Properties

Compound Name1-[butyl(chloro)phosphoryl]butane
PubChem CID2784368
Molecular FormulaC8H18ClOP
Molecular Weight196.66 g/mol
Exact Mass196.08
IUPAC Name1-[butyl(chloro)phosphoryl]butane
SMILESCCCCP(=O)(Cl)CCCC
InChIInChI=1S/C8H18ClOP/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
InChIKeyANVPJIVTLVQUNV-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(chloro)phosphoryl]butane?
The IUPAC name of 1-[butyl(chloro)phosphoryl]butane (CID 2784368) is 1-[butyl(chloro)phosphoryl]butane.
What is the SMILES notation for 1-[butyl(chloro)phosphoryl]butane?
The canonical SMILES for 1-[butyl(chloro)phosphoryl]butane is CCCCP(=O)(Cl)CCCC.
What is the InChIKey of 1-[butyl(chloro)phosphoryl]butane?
The InChIKey is ANVPJIVTLVQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClOP/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-[butyl(chloro)phosphoryl]butane?
1-[butyl(chloro)phosphoryl]butane has a molecular weight of 196.66 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(chloro)phosphoryl]butane is sourced from PubChem (CID 2784368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).