[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane

C14H25O3P — CID 23466618

IUPAC[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane
SMILESC=CP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H25O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2
InChIKeyCDRWVYORUOPJFP-UHFFFAOYSA-N
MW272.32 g/mol
LogP5.02
Rot. Bonds5

About [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane

[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane (PubChem CID 23466618) has the molecular formula C14H25O3P and a molecular weight of 272.32 g/mol. Its IUPAC name is [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane
PubChem CID23466618
Molecular FormulaC14H25O3P
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane
SMILESC=CP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H25O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2
InChIKeyCDRWVYORUOPJFP-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.32
LogP ≤ 55.02
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 [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane?
The IUPAC name of [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane (CID 23466618) is [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane is C=CP(=O)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane?
The InChIKey is CDRWVYORUOPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h2,13-14H,1,3-12H2.
What are the key properties of [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane?
[cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane has a molecular weight of 272.32 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyloxy(ethenyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 23466618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).