4-(2-methoxyethoxy)butan-2-ol

C7H16O3 — CID 21045149

IUPAC4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(C)O
InChIInChI=1S/C7H16O3/c1-7(8)3-4-10-6-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyPTDCRPLXKGAZME-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.42
Rot. Bonds6

About 4-(2-methoxyethoxy)butan-2-ol

4-(2-methoxyethoxy)butan-2-ol (PubChem CID 21045149) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)butan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)butan-2-ol
PubChem CID21045149
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(C)O
InChIInChI=1S/C7H16O3/c1-7(8)3-4-10-6-5-9-2/h7-8H,3-6H2,1-2H3
InChIKeyPTDCRPLXKGAZME-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
1-(2-methoxyethoxy)-7,8-dimethylnonan-3-ol
CID 123384991
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)butan-2-ol?
The IUPAC name of 4-(2-methoxyethoxy)butan-2-ol (CID 21045149) is 4-(2-methoxyethoxy)butan-2-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)butan-2-ol?
The canonical SMILES for 4-(2-methoxyethoxy)butan-2-ol is COCCOCCC(C)O.
What is the InChIKey of 4-(2-methoxyethoxy)butan-2-ol?
The InChIKey is PTDCRPLXKGAZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-7(8)3-4-10-6-5-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)butan-2-ol?
4-(2-methoxyethoxy)butan-2-ol has a molecular weight of 148.20 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)butan-2-ol is sourced from PubChem (CID 21045149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).