2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane

C32H68O12 — CID 91360012

IUPAC2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane
SMILESCC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C.CC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C
InChIInChI=1S/2C16H34O6/c2*1-10(2)17-15(18-11(3)4)21-14(9)22-16(19-12(5)6)20-13(7)8/h2*10-16H,1-9H3
InChIKeyXBZQQLODCIAKSM-UHFFFAOYSA-N
MW644.88 g/mol
LogP7.27
Rot. Bonds24

About 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane

2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane (PubChem CID 91360012) has the molecular formula C32H68O12 and a molecular weight of 644.88 g/mol. Its IUPAC name is 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane.

Molecular Properties

Compound Name2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane
PubChem CID91360012
Molecular FormulaC32H68O12
Molecular Weight644.88 g/mol
Exact Mass644.47
IUPAC Name2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane
SMILESCC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C.CC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C
InChIInChI=1S/2C16H34O6/c2*1-10(2)17-15(18-11(3)4)21-14(9)22-16(19-12(5)6)20-13(7)8/h2*10-16H,1-9H3
InChIKeyXBZQQLODCIAKSM-UHFFFAOYSA-N
XLogP7.27
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500644.88
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane 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

2-(1-propan-2-yloxyethoxy)propane;titanium
CID 174925099
cyclohexane;2-propan-2-yloxypropane
CID 22558525
CID 57100854
CID 57100854
azane;methanol;2-propan-2-yloxypropane;hydrate
CID 173089924
(3R)-2-methyl-3-propan-2-yloxybutane
CID 40522025
methanol;propan-2-ol;2-propan-2-yloxypropane
CID 88645420
CID 18764351
CID 18764351
1-propan-2-yloxyethylsilane
CID 123194155
CID 22593281
CID 22593281
1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
CID 68590566
carbonic acid;2-propan-2-yloxypropane
CID 158018053
(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
CID 91756441

Frequently Asked Questions

What is the IUPAC name of 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane?
The IUPAC name of 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane (CID 91360012) is 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane.
What is the SMILES notation for 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane?
The canonical SMILES for 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane is CC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C.CC(C)OC(OC(C)C)OC(C)OC(OC(C)C)OC(C)C.
What is the InChIKey of 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane?
The InChIKey is XBZQQLODCIAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H34O6/c2*1-10(2)17-15(18-11(3)4)21-14(9)22-16(19-12(5)6)20-13(7)8/h2*10-16H,1-9H3.
What are the key properties of 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane?
2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane has a molecular weight of 644.88 g/mol, XLogP of 7.27, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[di(propan-2-yloxy)methoxy]ethoxy-propan-2-yloxymethoxy]propane is sourced from PubChem (CID 91360012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).