5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C9H18ClO3P — CID 154088064

IUPAC5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCC1(CC)COP(=O)(Cl)OC1
InChIInChI=1S/C9H18ClO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3
InChIKeyIYWYQNJFSUOBBB-UHFFFAOYSA-N
MW240.67 g/mol
LogP3.97
Rot. Bonds4

About 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide

5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 154088064) has the molecular formula C9H18ClO3P and a molecular weight of 240.67 g/mol. Its IUPAC name is 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID154088064
Molecular FormulaC9H18ClO3P
Molecular Weight240.67 g/mol
Exact Mass240.07
IUPAC Name5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCC1(CC)COP(=O)(Cl)OC1
InChIInChI=1S/C9H18ClO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3
InChIKeyIYWYQNJFSUOBBB-UHFFFAOYSA-N
XLogP3.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 154088064) is 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCCCC1(CC)COP(=O)(Cl)OC1.
What is the InChIKey of 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is IYWYQNJFSUOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3.
What are the key properties of 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 240.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 154088064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).