[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane

C12H21O3P — CID 56996806

IUPAC[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane
SMILESC=CCOP(=O)(CC=C)OC1CCCCC1
InChIInChI=1S/C12H21O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyULLUOVOPEFAHJC-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.92
Rot. Bonds7

About [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane

[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane (PubChem CID 56996806) has the molecular formula C12H21O3P and a molecular weight of 244.27 g/mol. Its IUPAC name is [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane
PubChem CID56996806
Molecular FormulaC12H21O3P
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane
SMILESC=CCOP(=O)(CC=C)OC1CCCCC1
InChIInChI=1S/C12H21O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2
InChIKeyULLUOVOPEFAHJC-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-2-[(2-fluorocyclohexyl)oxy-prop-2-enylphosphoryl]oxycyclohexane
CID 87625128
1-Cyclohexyloxy-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 20317626
Cyclohexyloxy-oxo-prop-2-enoxyphosphanium
CID 21304207
[[(E)-but-2-enyl]-cyclohexyloxyphosphoryl]oxycyclohexane
CID 23002192
[Cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane
CID 23466618
[Cyclohexyloxy(prop-2-enyl)phosphoryl]oxycyclohexane
CID 53840725
Cyclohexyloxy(ethenyl)phosphinic acid
CID 54135664
1-[Hexoxy(prop-2-enyl)phosphoryl]oxyhexane
CID 54567675
Bis(prop-2-enoxy)phosphorylcyclohexane
CID 54569921
[Ethenyl(methyl)phosphoryl]oxycyclohexane
CID 66796538
Cyclohexyloxy-oxo-prop-1-en-2-ylphosphanium
CID 66796539
Cyclohexyloxy-oxo-prop-1-enylphosphanium
CID 66796540

Frequently Asked Questions

What is the IUPAC name of [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane?
The IUPAC name of [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane (CID 56996806) is [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane is C=CCOP(=O)(CC=C)OC1CCCCC1.
What is the InChIKey of [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane?
The InChIKey is ULLUOVOPEFAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O3P/c1-3-10-14-16(13,11-4-2)15-12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2.
What are the key properties of [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane?
[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane has a molecular weight of 244.27 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 56996806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).