4-(methoxymethoxy)pentan-1-ol

C7H16O3 — CID 20708601

IUPAC4-(methoxymethoxy)pentan-1-ol
SMILESCOCOC(C)CCCO
InChIInChI=1S/C7H16O3/c1-7(4-3-5-8)10-6-9-2/h7-8H,3-6H2,1-2H3
InChIKeyQQIZDMIXZLYQJT-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds6

About 4-(methoxymethoxy)pentan-1-ol

4-(methoxymethoxy)pentan-1-ol (PubChem CID 20708601) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-(methoxymethoxy)pentan-1-ol.

Molecular Properties

Compound Name4-(methoxymethoxy)pentan-1-ol
PubChem CID20708601
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name4-(methoxymethoxy)pentan-1-ol
SMILESCOCOC(C)CCCO
InChIInChI=1S/C7H16O3/c1-7(4-3-5-8)10-6-9-2/h7-8H,3-6H2,1-2H3
InChIKeyQQIZDMIXZLYQJT-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.77
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 4-(methoxymethoxy)pentan-1-ol?
The IUPAC name of 4-(methoxymethoxy)pentan-1-ol (CID 20708601) is 4-(methoxymethoxy)pentan-1-ol.
What is the SMILES notation for 4-(methoxymethoxy)pentan-1-ol?
The canonical SMILES for 4-(methoxymethoxy)pentan-1-ol is COCOC(C)CCCO.
What is the InChIKey of 4-(methoxymethoxy)pentan-1-ol?
The InChIKey is QQIZDMIXZLYQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-7(4-3-5-8)10-6-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)pentan-1-ol?
4-(methoxymethoxy)pentan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)pentan-1-ol is sourced from PubChem (CID 20708601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).