3-(methoxymethoxy)butan-1-ol

C6H14O3 — CID 15181977

IUPAC3-(methoxymethoxy)butan-1-ol
SMILESCOCOC(C)CCO
InChIInChI=1S/C6H14O3/c1-6(3-4-7)9-5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyAGDCYCRHQFDLPD-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.38
Rot. Bonds5

About 3-(methoxymethoxy)butan-1-ol

3-(methoxymethoxy)butan-1-ol (PubChem CID 15181977) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-(methoxymethoxy)butan-1-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)butan-1-ol
PubChem CID15181977
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name3-(methoxymethoxy)butan-1-ol
SMILESCOCOC(C)CCO
InChIInChI=1S/C6H14O3/c1-6(3-4-7)9-5-8-2/h6-7H,3-5H2,1-2H3
InChIKeyAGDCYCRHQFDLPD-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)butan-1-ol?
The IUPAC name of 3-(methoxymethoxy)butan-1-ol (CID 15181977) is 3-(methoxymethoxy)butan-1-ol.
What is the SMILES notation for 3-(methoxymethoxy)butan-1-ol?
The canonical SMILES for 3-(methoxymethoxy)butan-1-ol is COCOC(C)CCO.
What is the InChIKey of 3-(methoxymethoxy)butan-1-ol?
The InChIKey is AGDCYCRHQFDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-6(3-4-7)9-5-8-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)butan-1-ol?
3-(methoxymethoxy)butan-1-ol has a molecular weight of 134.18 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)butan-1-ol is sourced from PubChem (CID 15181977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).