2-[3-(propan-2-yloxymethoxy)propoxy]ethanol

C9H20O4 — CID 57303789

IUPAC2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
SMILESCC(C)OCOCCCOCCO
InChIInChI=1S/C9H20O4/c1-9(2)13-8-12-6-3-5-11-7-4-10/h9-10H,3-8H2,1-2H3
InChIKeyCFLZJYSFAZYVME-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.78
Rot. Bonds9

About 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol

2-[3-(propan-2-yloxymethoxy)propoxy]ethanol (PubChem CID 57303789) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
PubChem CID57303789
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
SMILESCC(C)OCOCCCOCCO
InChIInChI=1S/C9H20O4/c1-9(2)13-8-12-6-3-5-11-7-4-10/h9-10H,3-8H2,1-2H3
InChIKeyCFLZJYSFAZYVME-UHFFFAOYSA-N
XLogP0.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
N-[3-(propan-2-yloxymethoxy)propyl]hydroxylamine
CID 57023854
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
2-[3-[dimethyl(propan-2-yl)-λ4-sulfanyl]propoxy]ethanol
CID 129233266
2-[2-[2-[2-[3-(tetradecoxymethoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100959671
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123262216
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
2-butoxyethanol
CID 8133

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol?
The IUPAC name of 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol (CID 57303789) is 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol.
What is the SMILES notation for 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol?
The canonical SMILES for 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol is CC(C)OCOCCCOCCO.
What is the InChIKey of 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol?
The InChIKey is CFLZJYSFAZYVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2)13-8-12-6-3-5-11-7-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol?
2-[3-(propan-2-yloxymethoxy)propoxy]ethanol has a molecular weight of 192.25 g/mol, XLogP of 0.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-yloxymethoxy)propoxy]ethanol is sourced from PubChem (CID 57303789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).