1-didecoxyphosphoryltetradecane

C34H71O3P — CID 151616748

IUPAC1-didecoxyphosphoryltetradecane
SMILESCCCCCCCCCCCCCCP(=O)(OCCCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C34H71O3P/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-38(35,36-32-29-26-23-17-14-11-8-5-2)37-33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3
InChIKeyQNRAQIURKDKPFG-UHFFFAOYSA-N
MW558.91 g/mol
LogP13.20
Rot. Bonds33

About 1-didecoxyphosphoryltetradecane

1-didecoxyphosphoryltetradecane (PubChem CID 151616748) has the molecular formula C34H71O3P and a molecular weight of 558.91 g/mol. Its IUPAC name is 1-didecoxyphosphoryltetradecane.

Molecular Properties

Compound Name1-didecoxyphosphoryltetradecane
PubChem CID151616748
Molecular FormulaC34H71O3P
Molecular Weight558.91 g/mol
Exact Mass558.51
IUPAC Name1-didecoxyphosphoryltetradecane
SMILESCCCCCCCCCCCCCCP(=O)(OCCCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C34H71O3P/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-38(35,36-32-29-26-23-17-14-11-8-5-2)37-33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3
InChIKeyQNRAQIURKDKPFG-UHFFFAOYSA-N
XLogP13.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.91
LogP ≤ 513.20
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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Frequently Asked Questions

What is the IUPAC name of 1-didecoxyphosphoryltetradecane?
The IUPAC name of 1-didecoxyphosphoryltetradecane (CID 151616748) is 1-didecoxyphosphoryltetradecane.
What is the SMILES notation for 1-didecoxyphosphoryltetradecane?
The canonical SMILES for 1-didecoxyphosphoryltetradecane is CCCCCCCCCCCCCCP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.
What is the InChIKey of 1-didecoxyphosphoryltetradecane?
The InChIKey is QNRAQIURKDKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71O3P/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-38(35,36-32-29-26-23-17-14-11-8-5-2)37-33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3.
What are the key properties of 1-didecoxyphosphoryltetradecane?
1-didecoxyphosphoryltetradecane has a molecular weight of 558.91 g/mol, XLogP of 13.20, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-didecoxyphosphoryltetradecane is sourced from PubChem (CID 151616748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).