1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane

C13H29O3P — CID 14898577

IUPAC1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESCCCP(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C13H29O3P/c1-8-9-17(14,15-10-12(2,3)4)16-11-13(5,6)7/h8-11H2,1-7H3
InChIKeyCRBXWMWZUNPDSE-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.71
Rot. Bonds6

About 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane

1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane (PubChem CID 14898577) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
PubChem CID14898577
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane
SMILESCCCP(=O)(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C13H29O3P/c1-8-9-17(14,15-10-12(2,3)4)16-11-13(5,6)7/h8-11H2,1-7H3
InChIKeyCRBXWMWZUNPDSE-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane 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-[butyl(2,2-dimethylpropoxy)phosphoryl]oxyheptadecane
CID 91716431
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
CID 91347347
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 146414933
1-[bis(2,2-dimethylpropoxy)phosphoryl]propan-1-one
CID 23002160
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[2,2-dimethylpropoxy(methylselanyl)phosphoryl]oxy-2,2-dimethylpropane
CID 15094862
1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane?
The IUPAC name of 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane (CID 14898577) is 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane.
What is the SMILES notation for 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane?
The canonical SMILES for 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane is CCCP(=O)(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane?
The InChIKey is CRBXWMWZUNPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-8-9-17(14,15-10-12(2,3)4)16-11-13(5,6)7/h8-11H2,1-7H3.
What are the key properties of 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane?
1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane has a molecular weight of 264.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropoxy(propyl)phosphoryl]oxy-2,2-dimethylpropane is sourced from PubChem (CID 14898577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).