1-butoxyethoxymethanol

C7H16O3 — CID 19047949

IUPAC1-butoxyethoxymethanol
SMILESCCCCOC(C)OCO
InChIInChI=1S/C7H16O3/c1-3-4-5-9-7(2)10-6-8/h7-8H,3-6H2,1-2H3
InChIKeyMWIIMUTXJFRVCA-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.12
Rot. Bonds6

About 1-butoxyethoxymethanol

1-butoxyethoxymethanol (PubChem CID 19047949) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-butoxyethoxymethanol.

Molecular Properties

Compound Name1-butoxyethoxymethanol
PubChem CID19047949
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-butoxyethoxymethanol
SMILESCCCCOC(C)OCO
InChIInChI=1S/C7H16O3/c1-3-4-5-9-7(2)10-6-8/h7-8H,3-6H2,1-2H3
InChIKeyMWIIMUTXJFRVCA-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butoxyethoxymethanol 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

3-(1-butoxyethoxy)propan-1-ol
CID 54457983
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
4-(1-butoxyethoxy)-2-[2-(1-butoxyethoxy)ethyl]butanoic acid
CID 87513837
methane;1-propan-2-yloxybutane
CID 158518476
1-propan-2-yloxybutane;zirconium
CID 174617524
2,4-dibutoxypentane-1,3-diol
CID 57041496
1,1,3,3-tetrabutoxypropan-2-one
CID 546234

Frequently Asked Questions

What is the IUPAC name of 1-butoxyethoxymethanol?
The IUPAC name of 1-butoxyethoxymethanol (CID 19047949) is 1-butoxyethoxymethanol.
What is the SMILES notation for 1-butoxyethoxymethanol?
The canonical SMILES for 1-butoxyethoxymethanol is CCCCOC(C)OCO.
What is the InChIKey of 1-butoxyethoxymethanol?
The InChIKey is MWIIMUTXJFRVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-3-4-5-9-7(2)10-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-butoxyethoxymethanol?
1-butoxyethoxymethanol has a molecular weight of 148.20 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxyethoxymethanol is sourced from PubChem (CID 19047949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).