cyclohexen-1-yl-dioxido-oxo-λ5-phosphane

C6H9O3P-2 — CID 23419955

IUPACcyclohexen-1-yl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])C1=CCCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9)/p-2
InChIKeyLVEKJWLAJJVWIT-UHFFFAOYSA-L
MW160.11 g/mol
LogP0.36
Rot. Bonds1

About cyclohexen-1-yl-dioxido-oxo-λ5-phosphane

cyclohexen-1-yl-dioxido-oxo-λ5-phosphane (PubChem CID 23419955) has the molecular formula C6H9O3P-2 and a molecular weight of 160.11 g/mol. Its IUPAC name is cyclohexen-1-yl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namecyclohexen-1-yl-dioxido-oxo-λ5-phosphane
PubChem CID23419955
Molecular FormulaC6H9O3P-2
Molecular Weight160.11 g/mol
Exact Mass160.03
IUPAC Namecyclohexen-1-yl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])C1=CCCCC1
InChIInChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9)/p-2
InChIKeyLVEKJWLAJJVWIT-UHFFFAOYSA-L
XLogP0.36
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 50.36
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 cyclohexen-1-yl-dioxido-oxo-λ5-phosphane?
The IUPAC name of cyclohexen-1-yl-dioxido-oxo-λ5-phosphane (CID 23419955) is cyclohexen-1-yl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for cyclohexen-1-yl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for cyclohexen-1-yl-dioxido-oxo-λ5-phosphane is O=P([O-])([O-])C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-dioxido-oxo-λ5-phosphane?
The InChIKey is LVEKJWLAJJVWIT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11O3P/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H2,7,8,9)/p-2.
What are the key properties of cyclohexen-1-yl-dioxido-oxo-λ5-phosphane?
cyclohexen-1-yl-dioxido-oxo-λ5-phosphane has a molecular weight of 160.11 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 23419955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).