4-(ethoxymethoxymethoxy)butan-1-ol

C8H18O4 — CID 57011748

IUPAC4-(ethoxymethoxymethoxy)butan-1-ol
SMILESCCOCOCOCCCCO
InChIInChI=1S/C8H18O4/c1-2-10-7-12-8-11-6-4-3-5-9/h9H,2-8H2,1H3
InChIKeyCPLTZOLJBTXLQS-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.74
Rot. Bonds9

About 4-(ethoxymethoxymethoxy)butan-1-ol

4-(ethoxymethoxymethoxy)butan-1-ol (PubChem CID 57011748) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(ethoxymethoxymethoxy)butan-1-ol.

Molecular Properties

Compound Name4-(ethoxymethoxymethoxy)butan-1-ol
PubChem CID57011748
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name4-(ethoxymethoxymethoxy)butan-1-ol
SMILESCCOCOCOCCCCO
InChIInChI=1S/C8H18O4/c1-2-10-7-12-8-11-6-4-3-5-9/h9H,2-8H2,1H3
InChIKeyCPLTZOLJBTXLQS-UHFFFAOYSA-N
XLogP0.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.74
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

10-ethoxydecan-1-ol
CID 22412883
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
2-(ethoxymethoxy)ethanol;methane
CID 161049007
7-(methoxymethoxy)heptan-1-ol
CID 102354620
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxymethoxy)butan-1-ol?
The IUPAC name of 4-(ethoxymethoxymethoxy)butan-1-ol (CID 57011748) is 4-(ethoxymethoxymethoxy)butan-1-ol.
What is the SMILES notation for 4-(ethoxymethoxymethoxy)butan-1-ol?
The canonical SMILES for 4-(ethoxymethoxymethoxy)butan-1-ol is CCOCOCOCCCCO.
What is the InChIKey of 4-(ethoxymethoxymethoxy)butan-1-ol?
The InChIKey is CPLTZOLJBTXLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-2-10-7-12-8-11-6-4-3-5-9/h9H,2-8H2,1H3.
What are the key properties of 4-(ethoxymethoxymethoxy)butan-1-ol?
4-(ethoxymethoxymethoxy)butan-1-ol has a molecular weight of 178.23 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxymethoxy)butan-1-ol is sourced from PubChem (CID 57011748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).