1-di(propan-2-yloxy)phosphoryltetracosane

C30H63O3P — CID 23336035

IUPAC1-di(propan-2-yloxy)phosphoryltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C30H63O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(31,32-29(2)3)33-30(4)5/h29-30H,6-28H2,1-5H3
InChIKeyRZMMDYSRWNIREX-UHFFFAOYSA-N
MW502.81 g/mol
LogP11.63
Rot. Bonds27

About 1-di(propan-2-yloxy)phosphoryltetracosane

1-di(propan-2-yloxy)phosphoryltetracosane (PubChem CID 23336035) has the molecular formula C30H63O3P and a molecular weight of 502.81 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryltetracosane.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryltetracosane
PubChem CID23336035
Molecular FormulaC30H63O3P
Molecular Weight502.81 g/mol
Exact Mass502.45
IUPAC Name1-di(propan-2-yloxy)phosphoryltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C30H63O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(31,32-29(2)3)33-30(4)5/h29-30H,6-28H2,1-5H3
InChIKeyRZMMDYSRWNIREX-UHFFFAOYSA-N
XLogP11.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.81
LogP ≤ 511.63
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'}

Analyze 1-di(propan-2-yloxy)phosphoryltetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
1-[bis(propan-2-ylperoxy)phosphorylmethyl-propan-2-yloxyphosphoryl]heptadecane
CID 87459637
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dioctoxyphosphoryldecane
CID 141369437
1-di(butan-2-yl)phosphoryloctane
CID 85086346
1-di(butan-2-yl)phosphorylheptane
CID 11276975
1-didecoxyphosphoryltetradecane
CID 151616748
1-dibutoxyphosphoryloctacosane
CID 141204672
1-diheptoxyphosphoryloctadecane
CID 153322672
1-di(propan-2-yl)phosphorylhexane
CID 118005935

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryltetracosane?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryltetracosane (CID 23336035) is 1-di(propan-2-yloxy)phosphoryltetracosane.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryltetracosane?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryltetracosane is CCCCCCCCCCCCCCCCCCCCCCCCP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryltetracosane?
The InChIKey is RZMMDYSRWNIREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(31,32-29(2)3)33-30(4)5/h29-30H,6-28H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryltetracosane?
1-di(propan-2-yloxy)phosphoryltetracosane has a molecular weight of 502.81 g/mol, XLogP of 11.63, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryltetracosane is sourced from PubChem (CID 23336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).