4-octyl-1,4-oxaphosphinane

C12H25OP — CID 23280174

IUPAC4-octyl-1,4-oxaphosphinane
SMILESCCCCCCCCP1CCOCC1
InChIInChI=1S/C12H25OP/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2-12H2,1H3
InChIKeyIRFMJGIBPIDGNP-UHFFFAOYSA-N
MW216.30 g/mol
LogP3.86
Rot. Bonds7

About 4-octyl-1,4-oxaphosphinane

4-octyl-1,4-oxaphosphinane (PubChem CID 23280174) has the molecular formula C12H25OP and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-octyl-1,4-oxaphosphinane.

Molecular Properties

Compound Name4-octyl-1,4-oxaphosphinane
PubChem CID23280174
Molecular FormulaC12H25OP
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name4-octyl-1,4-oxaphosphinane
SMILESCCCCCCCCP1CCOCC1
InChIInChI=1S/C12H25OP/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2-12H2,1H3
InChIKeyIRFMJGIBPIDGNP-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-octyl-1,4-oxaphosphinane?
The IUPAC name of 4-octyl-1,4-oxaphosphinane (CID 23280174) is 4-octyl-1,4-oxaphosphinane.
What is the SMILES notation for 4-octyl-1,4-oxaphosphinane?
The canonical SMILES for 4-octyl-1,4-oxaphosphinane is CCCCCCCCP1CCOCC1.
What is the InChIKey of 4-octyl-1,4-oxaphosphinane?
The InChIKey is IRFMJGIBPIDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OP/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h2-12H2,1H3.
What are the key properties of 4-octyl-1,4-oxaphosphinane?
4-octyl-1,4-oxaphosphinane has a molecular weight of 216.30 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-1,4-oxaphosphinane is sourced from PubChem (CID 23280174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).