1-dihexoxyphosphoryltetradecane

C26H55O3P — CID 151638840

IUPAC1-dihexoxyphosphoryltetradecane
SMILESCCCCCCCCCCCCCCP(=O)(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H55O3P/c1-4-7-10-13-14-15-16-17-18-19-20-23-26-30(27,28-24-21-11-8-5-2)29-25-22-12-9-6-3/h4-26H2,1-3H3
InChIKeyQSCBTDXJSRGIOX-UHFFFAOYSA-N
MW446.70 g/mol
LogP10.07
Rot. Bonds25

About 1-dihexoxyphosphoryltetradecane

1-dihexoxyphosphoryltetradecane (PubChem CID 151638840) has the molecular formula C26H55O3P and a molecular weight of 446.70 g/mol. Its IUPAC name is 1-dihexoxyphosphoryltetradecane.

Molecular Properties

Compound Name1-dihexoxyphosphoryltetradecane
PubChem CID151638840
Molecular FormulaC26H55O3P
Molecular Weight446.70 g/mol
Exact Mass446.39
IUPAC Name1-dihexoxyphosphoryltetradecane
SMILESCCCCCCCCCCCCCCP(=O)(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H55O3P/c1-4-7-10-13-14-15-16-17-18-19-20-23-26-30(27,28-24-21-11-8-5-2)29-25-22-12-9-6-3/h4-26H2,1-3H3
InChIKeyQSCBTDXJSRGIOX-UHFFFAOYSA-N
XLogP10.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.70
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
[octadecyl(pentadecoxy)phosphoryl] hypofluorite
CID 154926633
1-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
3-di(tetradecoxy)phosphorylpropyl-trimethylphosphanium
CID 10580713

Frequently Asked Questions

What is the IUPAC name of 1-dihexoxyphosphoryltetradecane?
The IUPAC name of 1-dihexoxyphosphoryltetradecane (CID 151638840) is 1-dihexoxyphosphoryltetradecane.
What is the SMILES notation for 1-dihexoxyphosphoryltetradecane?
The canonical SMILES for 1-dihexoxyphosphoryltetradecane is CCCCCCCCCCCCCCP(=O)(OCCCCCC)OCCCCCC.
What is the InChIKey of 1-dihexoxyphosphoryltetradecane?
The InChIKey is QSCBTDXJSRGIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55O3P/c1-4-7-10-13-14-15-16-17-18-19-20-23-26-30(27,28-24-21-11-8-5-2)29-25-22-12-9-6-3/h4-26H2,1-3H3.
What are the key properties of 1-dihexoxyphosphoryltetradecane?
1-dihexoxyphosphoryltetradecane has a molecular weight of 446.70 g/mol, XLogP of 10.07, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihexoxyphosphoryltetradecane is sourced from PubChem (CID 151638840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).