1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane

C15H31O3P — CID 54567675

IUPAC1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
SMILESC=CCP(=O)(OCCCCCC)OCCCCCC
InChIInChI=1S/C15H31O3P/c1-4-7-9-11-13-17-19(16,15-6-3)18-14-12-10-8-5-2/h6H,3-5,7-15H2,1-2H3
InChIKeyZUZPXKGJSRYYDL-UHFFFAOYSA-N
MW290.38 g/mol
LogP5.56
Rot. Bonds14

About 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane

1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane (PubChem CID 54567675) has the molecular formula C15H31O3P and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
PubChem CID54567675
Molecular FormulaC15H31O3P
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
SMILESC=CCP(=O)(OCCCCCC)OCCCCCC
InChIInChI=1S/C15H31O3P/c1-4-7-9-11-13-17-19(16,15-6-3)18-14-12-10-8-5-2/h6H,3-5,7-15H2,1-2H3
InChIKeyZUZPXKGJSRYYDL-UHFFFAOYSA-N
XLogP5.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[heptoxy(prop-2-enyl)phosphoryl]oxyheptane
CID 176894700
1-[3-[methoxy(prop-2-enyl)phosphoryl]oxypropoxy]hexadecane
CID 124635215
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
N-(2-dihexoxyphosphorylethylidene)hydroxylamine
CID 169084780
1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
CID 156751885
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-dioctoxyphosphoryldecane
CID 141369437
1-diheptoxyphosphoryloctadecane
CID 153322672
1-didecoxyphosphoryltetradecane
CID 151616748

Frequently Asked Questions

What is the IUPAC name of 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane?
The IUPAC name of 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane (CID 54567675) is 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane?
The canonical SMILES for 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane is C=CCP(=O)(OCCCCCC)OCCCCCC.
What is the InChIKey of 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane?
The InChIKey is ZUZPXKGJSRYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3P/c1-4-7-9-11-13-17-19(16,15-6-3)18-14-12-10-8-5-2/h6H,3-5,7-15H2,1-2H3.
What are the key properties of 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane?
1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane has a molecular weight of 290.38 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane is sourced from PubChem (CID 54567675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).