2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane

C14H32O6P2 — CID 605693

IUPAC2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyHVINTUFGJARCPM-UHFFFAOYSA-N
MW358.35 g/mol
LogP5.07
Rot. Bonds11

About 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane

2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 605693) has the molecular formula C14H32O6P2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane
PubChem CID605693
Molecular FormulaC14H32O6P2
Molecular Weight358.35 g/mol
Exact Mass358.17
IUPAC Name2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane
SMILESCC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyHVINTUFGJARCPM-UHFFFAOYSA-N
XLogP5.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane 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

Tetraisopropyl methylenediphosphonate
CID 74266
Phosphonium, tributylethyl-, diethyl phosphate (1:1)
CID 60196373
Triisopropyl phosphate
CID 68188
Tetraethyl ethylenebisphosphonate
CID 70446
Tetraisopropyl pyrophosphate
CID 79916
Phosphonic acid, P,P'-ethenylidenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester
CID 4488726
Diisopropyl isopropylphosphonate
CID 15592904
Phosphoric acid tri-sec-butyl ester
CID 11482502
Phosphonic acid, trimethylenedi-, tetraethyl ester
CID 519945
Pyrophosphoric acid, dimethyl diisopropyl ester
CID 115865
Phosphinic acid, dipropyl-, isopropyl ester
CID 212078
Tetrabutyl ethane-1,2-diylbis(phosphonate)
CID 220454

Frequently Asked Questions

What is the IUPAC name of 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane (CID 605693) is 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane is CC(C)OP(=O)(CCP(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is HVINTUFGJARCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6P2/c1-11(2)17-21(15,18-12(3)4)9-10-22(16,19-13(5)6)20-14(7)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane?
2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 358.35 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-di(propan-2-yloxy)phosphorylethyl-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 605693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).